2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(3-methyl-2-quinoxalinyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(3-methylquinoxalin-2-yl)methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-15-20(23-19-10-6-5-9-18(19)22-15)13-27-14-21(26)25-12-11-17(24-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3