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

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-ethyl-piperazine-1-carbothioamide Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5OS/c1-2-19-17(25)22-10-8-21(9-11-22)14-12-20-23(16(24)15(14)18)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,19,25)