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

Systemtic Name: 4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-[5-(2-furyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-[5-(2-furyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C16H10N5O3S- MolecularWeight: 352.3473

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c22-15(23)9-3-5-10(6-4-9)21-14(19-20-16(21)25)12-8-11(17-18-12)13-2-1-7-24-13/h1-8H,(H,17,18)(H,20,25)(H,22,23)/p-1