phenyl 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O3S2/c1-14-8-10-16(11-9-14)21-15(2)19-20-18(21)25-12-13-26(22,23)24-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3