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

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-methyl-piperazine-1-carbothioamide Formula: C16H18ClN5OS MolecularWeight: 363.86502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5OS/c1-18-16(24)21-9-7-20(8-10-21)13-11-19-22(15(23)14(13)17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,24)