ethyl 5-methyl-1-(phenylsulfonylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-(phenylsulfonylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(benzenesulfonylmethyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(benzenesulfonylmethyl)-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonylmethyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(besylmethyl)-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H15N3O4S/c1-3-20-13(17)12-10(2)16(15-14-12)9-21(18,19)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3