(2-methylsulfanylpyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C18H17F3N4O3S MolecularWeight: 426.41279

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O3S/c1-29-16-13(3-2-6-22-16)17(26)24-9-7-23(8-10-24)14-5-4-12(18(19,20)21)11-15(14)25(27)28/h2-6,11H,7-10H2,1H3