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

Systemtic Name: 4-azanyl-6-azanylidene-5-cyano-1-(3-nitrophenyl)pyridazine-3-carbothioamide Openeye Name: 4-amino-5-cyano-6-imino-1-(3-nitrophenyl)pyridazine-3-carbothioamide CAS Name: 4-amino-5-cyano-6-imino-1-(3-nitrophenyl)-3-pyridazinecarbothioamide IUPAC Name: 4-amino-5-cyano-6-imino-1-(3-nitrophenyl)pyridazine-3-carbothioamide Traditional Name: 4-amino-5-cyano-6-imino-1-(3-nitrophenyl)pyridazine-3-carbothioamide Formula: C12H9N7O2S MolecularWeight: 315.31056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N7O2S/c13-5-8-9(14)10(12(16)22)17-18(11(8)15)6-2-1-3-7(4-6)19(20)21/h1-4,15H,14H2,(H2,16,22)