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

Systemtic Name: 3-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 3-[(Z)-[3-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 3-[(Z)-[3-(3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 3-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 3-[(Z)-[3-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C14H10N5OS- MolecularWeight: 296.3271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[O-])C=NN2C(=NNC2=S)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[O-])/C=N\N2C(=NNC2=S)C3=CN=CC=C3

InChI

InChI=1S/C14H11N5OS/c20-12-5-1-3-10(7-12)8-16-19-13(17-18-14(19)21)11-4-2-6-15-9-11/h1-9,20H,(H,18,21)/p-1/b16-8-