S-azanyl 4-[2-cyano-4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate

Systemtic Name: S-azanyl 4-[2-cyano-4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate Openeye Name: S-amino 4-[2-cyano-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate CAS Name: 4-[2-cyano-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1-piperazinecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[2-cyano-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate Traditional Name: 4-[2-cyano-4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioic acid S-amino ester Formula: C17H20N6O2S MolecularWeight: 372.4447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SN)C#N

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SN)C#N

InChI

InChI=1S/C17H20N6O2S/c1-11-8-15(24)20-21-16(11)12-2-3-14(13(9-12)10-18)22-4-6-23(7-5-22)17(25)26-19/h2-3,9,11H,4-8,19H2,1H3,(H,20,24)