methyl 2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S2/c1-16-11(14-15-13(16)21-8-12(17)20-2)9-22(18,19)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3