N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Formula: C21H15ClF6N4OS MolecularWeight: 520.878419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15ClF6N4OS/c1-2-7-32-18(12-3-5-15(22)6-4-12)30-31-19(32)34-11-17(33)29-16-9-13(20(23,24)25)8-14(10-16)21(26,27)28/h2-6,8-10H,1,7,11H2,(H,29,33)