2-methyl-1-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 2-methyl-1-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 2-methyl-1-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 2-methyl-1-[5-[4-(methylthio)phenyl]-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 2-methyl-1-[5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 2-methyl-1-[3-[4-(methylthio)phenyl]-5-quinoxalin-6-yl-2-pyrazolin-1-yl]propan-1-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H22N4OS/c1-14(2)22(27)26-21(16-6-9-18-20(12-16)24-11-10-23-18)13-19(25-26)15-4-7-17(28-3)8-5-15/h4-12,14,21H,13H2,1-3H3