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

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[methyl-(phenylmethyl)amino]ethanone Openeye Name: 2-[benzyl(methyl)amino]-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[methyl-(phenylmethyl)amino]ethanone IUPAC Name: 2-[benzyl(methyl)amino]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[benzyl(methyl)amino]-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS2/c1-23(14-16-7-3-2-4-8-16)15-21(25)24-18(20-10-6-12-27-20)13-17(22-24)19-9-5-11-26-19/h2-12,18H,13-15H2,1H3