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

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(o-tolyl)acetamide Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H21N7OS/c1-17-9-5-6-12-19(17)25-23(32)16-30-24(33)31(18-10-3-2-4-11-18)22(27-30)15-29-21-14-8-7-13-20(21)26-28-29/h2-14H,15-16H2,1H3,(H,25,32)