2-(cyanomethyl)-N-(3-methylphenyl)-1,3-benzothiazole-5-carboxamide

Systemtic Name: 2-(cyanomethyl)-N-(3-methylphenyl)-1,3-benzothiazole-5-carboxamide Openeye Name: 2-(cyanomethyl)-N-(m-tolyl)-1,3-benzothiazole-5-carboxamide CAS Name: 2-(cyanomethyl)-N-(3-methylphenyl)-1,3-benzothiazole-5-carboxamide IUPAC Name: 2-(cyanomethyl)-N-(3-methylphenyl)-1,3-benzothiazole-5-carboxamide Traditional Name: 2-(cyanomethyl)-N-(m-tolyl)-1,3-benzothiazole-5-carboxamide Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)SC(=N3)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)SC(=N3)CC#N

InChI

InChI=1S/C17H13N3OS/c1-11-3-2-4-13(9-11)19-17(21)12-5-6-15-14(10-12)20-16(22-15)7-8-18/h2-6,9-10H,7H2,1H3,(H,19,21)