3-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-1-(4-ethoxyphenyl)-2-pyrazinone IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-1-p-phenetyl-pyrazin-2-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=CN=C(C2=O)SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H22N2O2S/c1-4-25-19-9-7-18(8-10-19)23-12-11-22-20(21(23)24)26-14-17-13-15(2)5-6-16(17)3/h5-13H,4,14H2,1-3H3