2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]benzonitrile Formula: C20H15N3O2S2 MolecularWeight: 393.482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)COC3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C20H15N3O2S2/c21-12-14-5-1-2-6-17(14)25-13-20(24)23-16(19-8-4-10-27-19)11-15(22-23)18-7-3-9-26-18/h1-10,16H,11,13H2/t16-/m1/s1