2-[[4-(4-aminocarbonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-aminocarbonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-carbamoylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-carbamoylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-carbamoylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-carbamoylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H10N4O3S/c12-10(18)7-1-3-8(4-2-7)15-6-13-14-11(15)19-5-9(16)17/h1-4,6H,5H2,(H2,12,18)(H,16,17)