N-(3-chloranyl-4-cyano-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C16H11ClF3N3OS MolecularWeight: 385.79125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H11ClF3N3OS/c1-9(25-14-5-3-11(8-22-14)16(18,19)20)15(24)23-12-4-2-10(7-21)13(17)6-12/h2-6,8-9H,1H3,(H,23,24)