1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-(2-pyridin-2-ylethylsulfanyl)pyrazin-2-one

Systemtic Name: 1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-(2-pyridin-2-ylethylsulfanyl)pyrazin-2-one Openeye Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-[2-(2-pyridyl)ethylsulfanyl]pyrazin-2-one CAS Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-[2-(2-pyridinyl)ethylthio]-2-pyrazinone IUPAC Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-(2-pyridin-2-ylethylsulfanyl)pyrazin-2-one Traditional Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-[2-(2-pyridyl)ethylthio]pyrazin-2-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SCCC3=CC=CC=N3)OCC(C)(C)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SCCC3=CC=CC=N3)OCC(C)(C)O

InChI

InChI=1S/C22H25N3O3S/c1-16-14-18(7-8-19(16)28-15-22(2,3)27)25-12-11-24-20(21(25)26)29-13-9-17-6-4-5-10-23-17/h4-8,10-12,14,27H,9,13,15H2,1-3H3