2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(p-tolyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(p-tolyl)propionitrile Formula: C17H12N2OS MolecularWeight: 292.35498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)16(20)13(10-18)17-19-14-4-2-3-5-15(14)21-17/h2-9,13H,1H3