[5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [5-(4-tert-butylphenyl)-1-phenyl-1,2,4-triazol-3-yl] ester Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O3S/c1-24(2,3)18-11-9-17(10-12-18)22-26-23(27-28(22)20-7-5-4-6-8-20)31-32(29,30)21-15-13-19(25)14-16-21/h4-16H,1-3H3