[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NN2C)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NN2C)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-11-7-9-12(10-8-11)24(21,22)23-16-18-15(19-20(16)2)13-5-3-4-6-14(13)17/h3-10H,1-2H3