2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-quinazolinyl)thio]-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(4,6-dimethylquinazolin-2-yl)thio]-1-[(5R)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)N3C(CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)N3[C@H](CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-14-8-9-18-17(12-14)15(2)23-21(24-18)27-13-20(26)25-19(10-11-22-25)16-6-4-3-5-7-16/h3-9,11-12,19H,10,13H2,1-2H3/t19-/m1/s1