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

Systemtic Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=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,(H,16,17)(H,19,23)(H,21,22)