5-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-4-nitro-phenolate

Systemtic Name: 5-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-4-nitro-phenolate Openeye Name: 5-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-4-nitro-phenolate CAS Name: 5-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxy-4-nitrophenolate IUPAC Name: 5-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxy-4-nitrophenolate Traditional Name: 5-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-4-nitro-phenolate Formula: C17H13N4O5S2- MolecularWeight: 417.43892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])/C=N\NC(=O)CSC2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C17H14N4O5S2/c1-26-14-7-12(21(24)25)10(6-13(14)22)8-18-20-16(23)9-27-17-19-11-4-2-3-5-15(11)28-17/h2-8,22H,9H2,1H3,(H,20,23)/p-1/b18-8-