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

Systemtic Name: 4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C18H13N5O2S/c24-17(25)12-6-8-13(9-7-12)23-16(21-22-18(23)26)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,19,20)(H,22,26)(H,24,25)