4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C19H22ClN5OS MolecularWeight: 403.92888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5OS/c1-14(2)12-21-19(27)24-10-8-23(9-11-24)16-13-22-25(18(26)17(16)20)15-6-4-3-5-7-15/h3-7,13H,1,8-12H2,2H3,(H,21,27)