N-(2-bromanyl-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)Br)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)Br)C4CC4

InChI

InChI=1S/C21H21BrN4OS/c1-13-3-8-16(9-4-13)26-20(15-6-7-15)24-25-21(26)28-12-19(27)23-18-10-5-14(2)11-17(18)22/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,23,27)