2-tert-butyl-4-chloranyl-5-[[4-(2,2-dimethylpropoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(2,2-dimethylpropoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2,2-dimethylpropoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(2,2-dimethylpropoxymethyl)cyclohexyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(2,2-dimethylpropoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(neopentyloxymethyl)cyclohexyl]methylthio]pyridazin-3-one Formula: C21H35ClN2O2S MolecularWeight: 415.0328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC1CCC(CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)COCC1CCC(CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C21H35ClN2O2S/c1-20(2,3)14-26-12-15-7-9-16(10-8-15)13-27-17-11-23-24(21(4,5)6)19(25)18(17)22/h11,15-16H,7-10,12-14H2,1-6H3