2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[methyl(veratryl)amino]ethanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C23H25N3O3S2/c1-25(14-16-8-9-19(28-2)20(12-16)29-3)15-23(27)26-18(22-7-5-11-31-22)13-17(24-26)21-6-4-10-30-21/h4-12,18H,13-15H2,1-3H3