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

Systemtic Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C15H12N5O2S- MolecularWeight: 326.35308

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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)/p-1