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

Systemtic Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 4-[(Z)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C18H13N6OS- MolecularWeight: 361.40042

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6OS/c25-14-8-6-12(7-9-14)11-19-24-17(22-23-18(24)26)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-11,25H,(H,20,21)(H,23,26)/p-1/b19-11-