4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=CN2N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=CN2N)C(=O)O

InChI

InChI=1S/C10H10N4O2S/c11-14-6-12-13-10(14)17-5-7-1-3-8(4-2-7)9(15)16/h1-4,6H,5,11H2,(H,15,16)