4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-3-nitro-benzamide Formula: C16H11F3N4O3S MolecularWeight: 396.34375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N4O3S/c1-8-4-12(16(17,18)19)11(6-20)15(22-8)27-7-10-3-2-9(14(21)24)5-13(10)23(25)26/h2-5H,7H2,1H3,(H2,21,24)