2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-phenylsulfanyl-butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-phenylsulfanyl-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-phenylsulfanyl-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(phenylthio)butanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-phenylsulfanylbutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(phenylthio)butyronitrile Formula: C17H12N2OS2 MolecularWeight: 324.41998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C17H12N2OS2/c18-10-13(15(20)11-21-12-6-2-1-3-7-12)17-19-14-8-4-5-9-16(14)22-17/h1-9,19H,11H2