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

Systemtic Name: 4-[(Z)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 4-[(Z)-[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-[(Z)-[3-(2-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 4-[(Z)-[3-(2-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=NC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)[O-]

InChI

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