4-azanyl-5-cyano-1-(3-nitrophenyl)-6-oxidanylidene-pyridazine-3-carbothioamide

Systemtic Name: 4-azanyl-5-cyano-1-(3-nitrophenyl)-6-oxidanylidene-pyridazine-3-carbothioamide Openeye Name: 4-amino-5-cyano-1-(3-nitrophenyl)-6-oxo-pyridazine-3-carbothioamide CAS Name: 4-amino-5-cyano-1-(3-nitrophenyl)-6-oxo-3-pyridazinecarbothioamide IUPAC Name: 4-amino-5-cyano-1-(3-nitrophenyl)-6-oxopyridazine-3-carbothioamide Traditional Name: 4-amino-5-cyano-6-keto-1-(3-nitrophenyl)pyridazine-3-carbothioamide Formula: C12H8N6O3S MolecularWeight: 316.29532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C(=C(C(=N2)C(=S)N)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C(=C(C(=N2)C(=S)N)N)C#N

InChI

InChI=1S/C12H8N6O3S/c13-5-8-9(14)10(11(15)22)16-17(12(8)19)6-2-1-3-7(4-6)18(20)21/h1-4H,14H2,(H2,15,22)