2-(4-methylphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-(p-tolylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-(p-tolylthio)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)nicotinamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C20H19N3OS2/c1-13-8-10-14(11-9-13)25-19-15(5-4-12-21-19)18(24)23-20-22-16-6-2-3-7-17(16)26-20/h4-5,8-12H,2-3,6-7H2,1H3,(H,22,23,24)