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

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)[O-])C

InChI

InChI=1S/C13H15N3O3S/c1-8-4-5-11(19-3)10(6-8)16-9(2)14-15-13(16)20-7-12(17)18/h4-6H,7H2,1-3H3,(H,17,18)/p-1