2-(4-methylphenyl)carbonyl-1,3-benzothiazole-6-carbonitrile

Systemtic Name: 2-(4-methylphenyl)carbonyl-1,3-benzothiazole-6-carbonitrile Openeye Name: 2-(4-methylbenzoyl)-1,3-benzothiazole-6-carbonitrile CAS Name: 2-[(4-methylphenyl)-oxomethyl]-1,3-benzothiazole-6-carbonitrile IUPAC Name: 2-(4-methylbenzoyl)-1,3-benzothiazole-6-carbonitrile Traditional Name: 2-p-toluoyl-1,3-benzothiazole-6-carbonitrile Formula: C16H10N2OS MolecularWeight: 278.3284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NC3=C(S2)C=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C16H10N2OS/c1-10-2-5-12(6-3-10)15(19)16-18-13-7-4-11(9-17)8-14(13)20-16/h2-8H,1H3