methyl 4-[5-methyl-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-methyl-4-(phenylsulfonyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: methyl 4-[4-(benzenesulfonyl)-5-methyl-triazol-1-yl]benzoate CAS Name: 4-[4-(benzenesulfonyl)-5-methyl-1-triazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(benzenesulfonyl)-5-methyltriazol-1-yl]benzoate Traditional Name: 4-(4-besyl-5-methyl-triazol-1-yl)benzoic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-12-16(25(22,23)15-6-4-3-5-7-15)18-19-20(12)14-10-8-13(9-11-14)17(21)24-2/h3-11H,1-2H3