1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(3-nitrophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(3-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[(3-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(3-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(3-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[(3-nitrobenzyl)thio]ethanone Formula: C20H17N3O3S3 MolecularWeight: 443.56228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CSCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CSCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H17N3O3S3/c24-20(13-27-12-14-4-1-5-15(10-14)23(25)26)22-17(19-7-3-9-29-19)11-16(21-22)18-6-2-8-28-18/h1-10,17H,11-13H2/t17-/m1/s1