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

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-cyano-benzamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-4-cyano-benzamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-4-cyanobenzamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-4-cyanobenzamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-4-cyano-benzamide Formula: C16H11ClF3N3OS MolecularWeight: 385.79125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H11ClF3N3OS/c17-13-7-12(16(18,19)20)9-23-15(13)25-6-5-22-14(24)11-3-1-10(8-21)2-4-11/h1-4,7,9H,5-6H2,(H,22,24)