N-[2-(4-methylphenyl)sulfanylpyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylpyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-(p-tolylsulfanyl)-3-pyridyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-[(4-methylphenyl)thio]-3-pyridinyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylpyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-(p-tolylthio)-3-pyridyl]-3,5-bis(trifluoromethyl)benzamide Formula: C21H14F6N2OS MolecularWeight: 456.404079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H14F6N2OS/c1-12-4-6-16(7-5-12)31-19-17(3-2-8-28-19)29-18(30)13-9-14(20(22,23)24)11-15(10-13)21(25,26)27/h2-11H,1H3,(H,29,30)