1-[2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[2-(3-carbamothioylanilino)-2-oxo-ethyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[2-(3-carbamothioylanilino)-2-oxoethyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[2-(3-carbamothioylanilino)-2-oxoethyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-[2-keto-2-(3-thiocarbamoylanilino)ethyl]pyridazin-3-olate Formula: C13H11N4O3S- MolecularWeight: 303.31644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C=CC(=N2)[O-])C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C=CC(=N2)[O-])C(=S)N

InChI

InChI=1S/C13H12N4O3S/c14-13(21)8-2-1-3-9(6-8)15-11(19)7-17-12(20)5-4-10(18)16-17/h1-6H,7H2,(H2,14,21)(H,15,19)(H,16,18)/p-1