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

Systemtic Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C19H13N6O2S- MolecularWeight: 389.41052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C\C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H14N6O2S/c26-18(27)14-8-6-12(7-9-14)11-20-25-17(23-24-19(25)28)16-10-15(21-22-16)13-4-2-1-3-5-13/h1-11H,(H,21,22)(H,24,28)(H,26,27)/p-1/b20-11-