N-butyl-4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioamide Formula: C19H24ClN5OS MolecularWeight: 405.94476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H24ClN5OS/c1-2-3-9-21-19(27)24-12-10-23(11-13-24)16-14-22-25(18(26)17(16)20)15-7-5-4-6-8-15/h4-8,14H,2-3,9-13H2,1H3,(H,21,27)