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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(cyclohexylmethoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexylmethoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexylmethoxymethyl)cyclohexyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexylmethoxymethyl)cyclohexyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(cyclohexylmethoxymethyl)cyclohexyl]methylthio]pyridazin-3-one Formula: C23H37ClN2O2S MolecularWeight: 441.07008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2CCC(CC2)COCC3CCCCC3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2CCC(CC2)COCC3CCCCC3)Cl

InChI

InChI=1S/C23H37ClN2O2S/c1-23(2,3)26-22(27)21(24)20(13-25-26)29-16-19-11-9-18(10-12-19)15-28-14-17-7-5-4-6-8-17/h13,17-19H,4-12,14-16H2,1-3H3