2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4,4-diphenyl-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4,4-diphenyl-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4,4-diphenyl-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4,4-diphenylbutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4,4-diphenylbutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4,4-diphenyl-butyronitrile Formula: C23H16N2OS MolecularWeight: 368.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H16N2OS/c24-15-18(23-25-19-13-7-8-14-20(19)27-23)22(26)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18,21H