N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H13ClF3N3O3S2 MolecularWeight: 451.87093

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClF3N3O3S2/c1-27-13-3-2-9(6-12(13)23(25)26)14(24)21-4-5-28-15-11(17)7-10(8-22-15)16(18,19)20/h2-3,6-8H,4-5H2,1H3,(H,21,24)