2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide Formula: C23H19BrN4OS MolecularWeight: 479.39216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

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