4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H13N5O2S/c16-20-13(11-5-7-17-8-6-11)18-19-15(20)23-9-10-1-3-12(4-2-10)14(21)22/h1-8H,9,16H2,(H,21,22)