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

Systemtic Name: 2-[(2,3-dimethylphenyl)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-(2,3-dimethylanilino)ethanone CAS Name: 2-(2,3-dimethylanilino)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(2,3-dimethylanilino)-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-(2,3-dimethylanilino)ethanone Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS2/c1-14-6-3-7-16(15(14)2)22-13-21(25)24-18(20-9-5-11-27-20)12-17(23-24)19-8-4-10-26-19/h3-11,18,22H,12-13H2,1-2H3