4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2-[(benzylamino)-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: 4-(1H-benzimidazol-2-ylthio)-2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxobutanenitrile IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2-[(benzylamino)-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(benzylamino)-3-hydroxy-acrylonitrile Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C19H16N4O2S/c20-10-14(18(25)21-11-13-6-2-1-3-7-13)17(24)12-26-19-22-15-8-4-5-9-16(15)23-19/h1-9,21,25H,11-12H2,(H,22,23)