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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/c1-13(25)24-20(15-5-8-17-19(11-15)22-10-9-21-17)12-18(23-24)14-3-6-16(26-2)7-4-14/h3-11,20H,12H2,1-2H3