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

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-methylsulfonylbenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-4-mesyl-benzamide Formula: C16H14ClF3N2O3S2 MolecularWeight: 438.87217

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N2O3S2/c1-27(24,25)12-4-2-10(3-5-12)14(23)21-6-7-26-15-13(17)8-11(9-22-15)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,23)