2-[4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]phenyl]acetonitrile Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=CC=C(C=C3)CC#N)C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC3=CC=C(C=C3)CC#N)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c22-10-9-15-5-7-16(8-6-15)26-14-21(25)24-18(20-4-2-12-28-20)13-17(23-24)19-3-1-11-27-19/h1-8,11-12,18H,9,13-14H2