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

Systemtic Name: 2-[3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[4-phenyl-3-(p-tolylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[3-[[(4-methylphenyl)thio]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: N-(4-phenoxyphenyl)-2-[4-phenyl-3-[(p-tolylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]acetamide Formula: C30H26N4O2S2 MolecularWeight: 538.68304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H26N4O2S2/c1-22-12-18-27(19-13-22)38-21-28-32-33(30(37)34(28)24-8-4-2-5-9-24)20-29(35)31-23-14-16-26(17-15-23)36-25-10-6-3-7-11-25/h2-19H,20-21H2,1H3,(H,31,35)