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

Systemtic Name: 2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 2-[(Z)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2-[(Z)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 2-[(Z)-[3-(4-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=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)[O-]

Isomeric SMILES

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

InChI

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