4-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H13N4O5S2- MolecularWeight: 417.43892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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