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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21F3N4O3S2/c1-15-11-18(21(22,23)24)17(12-25)20(26-15)32-13-19(29)27-7-9-28(10-8-27)33(30,31)14-16-5-3-2-4-6-16/h2-6,11H,7-10,13-14H2,1H3