1-(3,4-dimethylphenyl)-3-phenacylsulfanyl-pyrazin-2-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-phenacylsulfanyl-pyrazin-2-one Openeye Name: 1-(3,4-dimethylphenyl)-3-phenacylsulfanyl-pyrazin-2-one CAS Name: 1-(3,4-dimethylphenyl)-3-(phenacylthio)-2-pyrazinone IUPAC Name: 1-(3,4-dimethylphenyl)-3-phenacylsulfanylpyrazin-2-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(phenacylthio)pyrazin-2-one Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S/c1-14-8-9-17(12-15(14)2)22-11-10-21-19(20(22)24)25-13-18(23)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3