2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid CAS Name: 2-[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid Traditional Name: 2-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]carbamoyl]benzoic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CSC1=NNC(=N1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H10N4O3S/c1-19-11-13-10(14-15-11)12-8(16)6-4-2-3-5-7(6)9(17)18/h2-5H,1H3,(H,17,18)(H2,12,13,14,15,16)