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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H19BrN4OS MolecularWeight: 479.39216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C23H19BrN4OS/c1-16-12-13-20(19(24)14-16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,25,29)