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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H27BrN4OS MolecularWeight: 487.45568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C23H27BrN4OS/c1-16(2)14-28-21(12-10-18-7-5-4-6-8-18)26-27-23(28)30-15-22(29)25-20-11-9-17(3)13-19(20)24/h4-9,11,13,16H,10,12,14-15H2,1-3H3,(H,25,29)