6-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(m-tolyl)piperazino]ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

InChI

InChI=1S/C21H21F3N4OS/c1-14-4-3-5-16(10-14)27-6-8-28(9-7-27)19(29)13-30-20-17(12-25)18(21(22,23)24)11-15(2)26-20/h3-5,10-11H,6-9,13H2,1-2H3