1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylimidazol-1-yl)ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylimidazol-1-yl)ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylimidazol-1-yl)ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methyl-1-imidazolyl)ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylimidazol-1-yl)ethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(2-methylimidazol-1-yl)ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC=CN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H22N4O3S/c1-14-22-8-9-24(14)13-21(26)25-17(12-16(23-25)20-5-4-10-29-20)15-6-7-18(27-2)19(11-15)28-3/h4-11,17H,12-13H2,1-3H3