1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[4-(m-tolyl)-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[[(4-methylphenyl)thio]methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[4-(m-tolyl)-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O2S2/c1-18-7-13-23(14-8-18)32-17-25-27-28-26(29(25)21-6-4-5-19(2)15-21)33-16-24(30)20-9-11-22(31-3)12-10-20/h4-15H,16-17H2,1-3H3