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

Systemtic Name: 4-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C=NN=C2SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)N2C=NN=C2SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H12N4O2S/c20-14(21)12-5-3-11(4-6-12)9-22-15-18-17-10-19(15)13-2-1-7-16-8-13/h1-8,10H,9H2,(H,20,21)