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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(cyclohexyloxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexyloxymethyl)cyclohexyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexyloxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexoxymethyl)cyclohexyl]methylthio]pyridazin-3-one Formula: C22H35ClN2O2S MolecularWeight: 427.0435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2CCC(CC2)COC3CCCCC3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2CCC(CC2)COC3CCCCC3)Cl

InChI

InChI=1S/C22H35ClN2O2S/c1-22(2,3)25-21(26)20(23)19(13-24-25)28-15-17-11-9-16(10-12-17)14-27-18-7-5-4-6-8-18/h13,16-18H,4-12,14-15H2,1-3H3