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

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[(2-methyl-5-methylsulfonyl-phenyl)amino]ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methyl-5-methylsulfonyl-anilino)ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(5-mesyl-2-methyl-anilino)ethanone Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S3/c1-14-7-8-15(30(2,26)27)11-16(14)22-13-21(25)24-18(20-6-4-10-29-20)12-17(23-24)19-5-3-9-28-19/h3-11,18,22H,12-13H2,1-2H3