3-[2-(4-fluorophenyl)ethylsulfanyl]-1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]pyrazin-2-one

Systemtic Name: 3-[2-(4-fluorophenyl)ethylsulfanyl]-1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]pyrazin-2-one Openeye Name: 3-[2-(4-fluorophenyl)ethylsulfanyl]-1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]pyrazin-2-one CAS Name: 3-[2-(4-fluorophenyl)ethylthio]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-2-pyrazinone IUPAC Name: 3-[2-(4-fluorophenyl)ethylsulfanyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyrazin-2-one Traditional Name: 3-[2-(4-fluorophenyl)ethylthio]-1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]pyrazin-2-one Formula: C23H25FN2O3S MolecularWeight: 428.519603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SCCC3=CC=C(C=C3)F)OCC(C)(C)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SCCC3=CC=C(C=C3)F)OCC(C)(C)O

InChI

InChI=1S/C23H25FN2O3S/c1-16-14-19(8-9-20(16)29-15-23(2,3)28)26-12-11-25-21(22(26)27)30-13-10-17-4-6-18(24)7-5-17/h4-9,11-12,14,28H,10,13,15H2,1-3H3