ethyl 5-methyl-1-[(4-methylphenyl)sulfonylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[(4-methylphenyl)sulfonylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-(p-tolylsulfonylmethyl)triazole-4-carboxylate CAS Name: 5-methyl-1-[(4-methylphenyl)sulfonylmethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[(4-methylphenyl)sulfonylmethyl]triazole-4-carboxylate Traditional Name: 5-methyl-1-(tosylmethyl)triazole-4-carboxylic acid ethyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-4-21-14(18)13-11(3)17(16-15-13)9-22(19,20)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3