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

Systemtic Name: 2-chloranyl-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C15H11ClN5O2S- MolecularWeight: 360.79814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C15H12ClN5O2S/c16-10-4-3-8(5-9(10)14(22)23)21-13(19-20-15(21)24)12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H,17,18)(H,20,24)(H,22,23)/p-1