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

Systemtic Name: [2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl] ester IUPAC Name: [2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl] ester Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NN2C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NN2C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c1-11-7-9-12(10-8-11)26(23,24)25-16-17-15(18-19(16)2)13-5-3-4-6-14(13)20(21)22/h3-10H,1-2H3