N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)benzyl]nicotinamide Formula: C22H16F3N3O2S MolecularWeight: 443.44155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O2S/c1-13-4-2-7-17-19(13)26-21(31-17)27-20(30)15-8-9-18(29)28(12-15)11-14-5-3-6-16(10-14)22(23,24)25/h2-10,12H,11H2,1H3,(H,26,27,30)