1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[5-(4-chlorophenyl)-3-phenyl-2-pyrazolin-1-yl]-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=CN=C1SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-25-12-11-23-21(25)28-14-20(27)26-19(16-7-9-17(22)10-8-16)13-18(24-26)15-5-3-2-4-6-15/h2-12,19H,13-14H2,1H3