4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yl-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-2-methoxy-phenolate

Systemtic Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yl-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(2-thienyl)triazole-4-carbonyl]hydrazono]methyl]-2-methoxy-phenolate CAS Name: 4-[(E)-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yl-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenolate Traditional Name: 4-[(E)-[[1-(4-ammoniofurazan-3-yl)-5-(2-thienyl)triazole-4-carbonyl]hydrazono]methyl]-2-methoxy-phenolate Formula: C17H14N8O4S MolecularWeight: 426.40926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3[NH3+])C4=CC=CS4)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3[NH3+])C4=CC=CS4)[O-]

InChI

InChI=1S/C17H14N8O4S/c1-28-11-7-9(4-5-10(11)26)8-19-21-17(27)13-14(12-3-2-6-30-12)25(24-20-13)16-15(18)22-29-23-16/h2-8,26H,1H3,(H2,18,22)(H,21,27)/b19-8+