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

Systemtic Name: (2S)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-(1,3-benzothiazol-2-ylthio)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(1,3-benzothiazol-2-ylthio)-3-keto-2-phenyl-butyronitrile Formula: C17H12N2OS2 MolecularWeight: 324.41998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C#N)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2OS2/c18-10-13(12-6-2-1-3-7-12)15(20)11-21-17-19-14-8-4-5-9-16(14)22-17/h1-9,13H,11H2/t13-/m1/s1