4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C20H13N3OS3 MolecularWeight: 407.53172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H13N3OS3/c21-10-14(19-22-16(11-25-19)13-6-2-1-3-7-13)17(24)12-26-20-23-15-8-4-5-9-18(15)27-20/h1-9,11,14H,12H2