3-[(4-chlorophenyl)amino]-1-methyl-5-(2,4,6-trimethylphenyl)sulfanyl-pyrazin-2-one

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-methyl-5-(2,4,6-trimethylphenyl)sulfanyl-pyrazin-2-one Openeye Name: 3-(4-chloroanilino)-1-methyl-5-(2,4,6-trimethylphenyl)sulfanyl-pyrazin-2-one CAS Name: 3-(4-chloroanilino)-1-methyl-5-[(2,4,6-trimethylphenyl)thio]-2-pyrazinone IUPAC Name: 3-(4-chloroanilino)-1-methyl-5-(2,4,6-trimethylphenyl)sulfanylpyrazin-2-one Traditional Name: 3-(4-chloroanilino)-5-(mesitylthio)-1-methyl-pyrazin-2-one Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C20H20ClN3OS/c1-12-9-13(2)18(14(3)10-12)26-17-11-24(4)20(25)19(23-17)22-16-7-5-15(21)6-8-16/h5-11H,1-4H3,(H,22,23)