[4-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[5-butyl-3-(o-tolyl)triazol-4-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[5-butyl-3-(2-methylphenyl)-4-triazolyl]phenyl] ester IUPAC Name: [4-[5-butyl-3-(2-methylphenyl)triazol-4-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[5-butyl-3-(o-tolyl)triazol-4-yl]phenyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=C(N(N=N1)C2=CC=CC=C2C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O3S/c1-4-5-9-24-26(29(28-27-24)25-10-7-6-8-20(25)3)21-13-15-22(16-14-21)32-33(30,31)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3