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

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-6-nitro-phenolate CAS Name: 2-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]-6-nitro-phenolate Formula: C16H11N4O4S2- MolecularWeight: 387.41294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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