2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide Openeye Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide Traditional Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)propionamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN4OS/c1-4-13-26-19(16-10-6-7-11-17(16)22)24-25-21(26)28-15(3)20(27)23-18-12-8-5-9-14(18)2/h4-12,15H,1,13H2,2-3H3,(H,23,27)