Molecules/(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
Molecular Identity
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
PubChem CID: 16760691
2D Structure
Properties
C18H16N6S2
Molecular Formula
380.50
Molecular Weight
g/mol
380.0878
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
183
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: [C-]#[N+]C(=C(N)SC1=CC=CC=C1N)C(=C(N)SC2=CC=CC=C2N)C#NIsomeric SMILES
SMILES: [C-]#[N+]/C(=C(/N)\SC1=CC=CC=C1N)/C(=C(\N)/SC2=CC=CC=C2N)/C#NSynonyms(2)
TAK-701SCHEMBL131582
Data from PubChem (NCBI)
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Molecular Structure
(Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
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Drug Network
Trials and conditions connected to (Z,2Z)-4-amino-2-[amino-(2-aminophenyl)sulfanylmethylidene]-4-(2-aminophenyl)sulfanyl-3-isocyanobut-3-enenitrile
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