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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1CCC(CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(C)CCOCC1CCC(CC1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C21H35ClN2O2S/c1-15(2)10-11-26-13-16-6-8-17(9-7-16)14-27-18-12-23-24(21(3,4)5)20(25)19(18)22/h12,15-17H,6-11,13-14H2,1-5H3