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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S2/c1-9-4-5-10(2)11(6-9)22(18,19)16-8-14-13(15-16)21-7-12(17)20-3/h4-6,8H,7H2,1-3H3