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

Systemtic Name: 2-[[4-(4-aminocarbonylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-carbamoylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-carbamoylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-carbamoylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-carbamoylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-7-14-15-12(20-6-10(17)18)16(7)9-4-2-8(3-5-9)11(13)19/h2-5H,6H2,1H3,(H2,13,19)(H,17,18)/p-1