4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid

Systemtic Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid Openeye Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid CAS Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid IUPAC Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid Traditional Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1,2-dihydro-1,2,4-triazol-4-ium-4-yl]benzoic acid Formula: C15H14N5O2S+ MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=[N+](C(=S)NN3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=[N+](C(=S)NN3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C15H13N5O2S/c21-14(22)9-3-5-10(6-4-9)20-13(18-19-15(20)23)12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H3,16,17,18,19,21,22,23)/p+1