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

Systemtic Name: 4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 4-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C\C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-13-8-6-12(7-9-13)10-17-20-15(18-19-16(20)23)11-22-14-4-2-1-3-5-14/h1-10,21H,11H2,(H,19,23)/p-1/b17-10-