2-tert-butyl-4-chloranyl-5-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(1H-pyrazol-5-yl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(1H-pyrazol-5-yl)benzyl]thio]pyridazin-3-one Formula: C18H19ClN4OS MolecularWeight: 374.88766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=NN3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=NN3)Cl

InChI

InChI=1S/C18H19ClN4OS/c1-18(2,3)23-17(24)16(19)15(10-21-23)25-11-12-4-6-13(7-5-12)14-8-9-20-22-14/h4-10H,11H2,1-3H3,(H,20,22)