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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-propoxybenzyl)thio]pyridazin-3-one Formula: C18H23ClN2O2S MolecularWeight: 366.90542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C18H23ClN2O2S/c1-5-10-23-14-8-6-13(7-9-14)12-24-15-11-20-21(18(2,3)4)17(22)16(15)19/h6-9,11H,5,10,12H2,1-4H3