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

Systemtic Name: 4-[(Z)-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate Traditional Name: 2-nitro-4-[(Z)-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C17H14N5O4S- MolecularWeight: 384.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-2-26-13-6-4-12(5-7-13)16-19-20-17(27)21(16)18-10-11-3-8-15(23)14(9-11)22(24)25/h3-10,23H,2H2,1H3,(H,20,27)/p-1/b18-10-