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

Systemtic Name: 4-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]-2-nitro-phenolate Formula: C16H11N4O4S2- MolecularWeight: 387.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S2/c21-13-6-5-10(7-12(13)20(23)24)8-17-19-15(22)9-25-16-18-11-3-1-2-4-14(11)26-16/h1-8,21H,9H2,(H,19,22)/p-1/b17-8-