N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H11ClF3N5OS MolecularWeight: 413.80465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H11ClF3N5OS/c17-11-2-1-10(16(18,19)20)7-12(11)22-13(26)8-27-15-23-14(24-25-15)9-3-5-21-6-4-9/h1-7H,8H2,(H,22,26)(H,23,24,25)