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

Systemtic Name: methyl 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)OC

InChI

InChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-4-9(6-10)12-15-13(17-16-12)21-7-11(19)20-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,16,17)