3-(2-methylphenyl)carbonyl-2H-1,3-benzothiazole-2-carbonitrile

Systemtic Name: 3-(2-methylphenyl)carbonyl-2H-1,3-benzothiazole-2-carbonitrile Openeye Name: 3-(2-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile CAS Name: 3-[(2-methylphenyl)-oxomethyl]-2H-1,3-benzothiazole-2-carbonitrile IUPAC Name: 3-(2-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Traditional Name: 3-o-toluoyl-2H-1,3-benzothiazole-2-carbonitrile Formula: C16H12N2OS MolecularWeight: 280.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C16H12N2OS/c1-11-6-2-3-7-12(11)16(19)18-13-8-4-5-9-14(13)20-15(18)10-17/h2-9,15H,1H3