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

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C18H22ClN5O2S MolecularWeight: 407.91758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O2S/c1-26-12-7-20-18(27)23-10-8-22(9-11-23)15-13-21-24(17(25)16(15)19)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,27)