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

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-cyclopropyl-piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-cyclopropyl-piperazine-1-carbothioamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C18H20ClN5OS/c19-16-15(12-20-24(17(16)25)14-4-2-1-3-5-14)22-8-10-23(11-9-22)18(26)21-13-6-7-13/h1-5,12-13H,6-11H2,(H,21,26)