2-tert-butyl-4-chloranyl-5-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(4-isopropenylcyclohexen-1-yl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(1-methylethenyl)-1-cyclohexenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-isopropenylcyclohexen-1-yl)methylthio]pyridazin-3-one Formula: C18H25ClN2OS MolecularWeight: 352.9219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(=C)C1CCC(=CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C18H25ClN2OS/c1-12(2)14-8-6-13(7-9-14)11-23-15-10-20-21(18(3,4)5)17(22)16(15)19/h6,10,14H,1,7-9,11H2,2-5H3