methyl 2-[[1-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(1-tosyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)SCC(=O)OC

InChI

InChI=1S/C12H13N3O4S2/c1-9-3-5-10(6-4-9)21(17,18)15-8-13-12(14-15)20-7-11(16)19-2/h3-6,8H,7H2,1-2H3