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

Systemtic Name: 2-tert-butyl-4-chloranyl-4-methylsulfanyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1H-pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(4-isopropenylcyclohexen-1-yl)-4-methylsulfanyl-1H-pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[4-(1-methylethenyl)-1-cyclohexenyl]-4-(methylthio)-1H-pyridazin-3-one IUPAC Name: 2-tert-butyl-4-chloro-4-methylsulfanyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1H-pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(4-isopropenylcyclohexen-1-yl)-4-(methylthio)-1H-pyridazin-3-one Formula: C18H27ClN2OS MolecularWeight: 354.93778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C2=CNN(C(=O)C2(SC)Cl)C(C)(C)C

Isomeric SMILES

CC(=C)C1CCC(=CC1)C2=CNN(C(=O)C2(SC)Cl)C(C)(C)C

InChI

InChI=1S/C18H27ClN2OS/c1-12(2)13-7-9-14(10-8-13)15-11-20-21(17(3,4)5)16(22)18(15,19)23-6/h9,11,13,20H,1,7-8,10H2,2-6H3