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

Systemtic Name: 2-tert-butyl-4-methyl-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-methyl-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-methyl-5-[(4-propoxyphenyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-methyl-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-methyl-5-[(4-propoxybenzyl)thio]pyridazin-3-one Formula: C19H26N2O2S MolecularWeight: 346.48694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S/c1-6-11-23-16-9-7-15(8-10-16)13-24-17-12-20-21(19(3,4)5)18(22)14(17)2/h7-10,12H,6,11,13H2,1-5H3