1,2-dimethyl-4-(3-methylsulfanylphenyl)-5-quinoxalin-6-yl-pyrazol-3-one

Systemtic Name: 1,2-dimethyl-4-(3-methylsulfanylphenyl)-5-quinoxalin-6-yl-pyrazol-3-one Openeye Name: 1,2-dimethyl-4-(3-methylsulfanylphenyl)-5-quinoxalin-6-yl-pyrazol-3-one CAS Name: 1,2-dimethyl-4-[3-(methylthio)phenyl]-5-(6-quinoxalinyl)-3-pyrazolone IUPAC Name: 1,2-dimethyl-4-(3-methylsulfanylphenyl)-5-quinoxalin-6-ylpyrazol-3-one Traditional Name: 1,2-dimethyl-4-[3-(methylthio)phenyl]-5-quinoxalin-6-yl-3-pyrazolin-3-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)SC)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)SC)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C20H18N4OS/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3