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

Systemtic Name: 1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-phenethylsulfanyl-pyrazin-2-one Openeye Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-phenethylsulfanyl-pyrazin-2-one CAS Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-(phenethylthio)-2-pyrazinone IUPAC Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-phenethylsulfanylpyrazin-2-one Traditional Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-(phenethylthio)pyrazin-2-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-17-15-19(9-10-20(17)28-16-23(2,3)27)25-13-12-24-21(22(25)26)29-14-11-18-7-5-4-6-8-18/h4-10,12-13,15,27H,11,14,16H2,1-3H3