3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-(4-methoxyphenyl)-1-(p-tolylsulfonyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-3-(4-methoxyphenyl)-1-tosyl-1,2,4-triazole Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CC=C(C=C3)OC)SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S2/c1-17-8-14-21(15-9-17)31(27,28)26-23(30-16-18-6-4-3-5-7-18)24-22(25-26)19-10-12-20(29-2)13-11-19/h3-15H,16H2,1-2H3