N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C21H21ClN4OS/c1-13-10-14(2)19(17(22)11-13)23-18(27)12-28-21-25-24-20(15-8-9-15)26(21)16-6-4-3-5-7-16/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,23,27)