2-cyano-N-(3-ethoxypropyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: 2-cyano-N-(3-ethoxypropyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(3-ethoxypropyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: 2-cyano-N-(3-ethoxypropyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N4O2S/c1-2-28-12-7-11-24-22(27)17(15-23)14-18-16-26(19-8-4-3-5-9-19)25-21(18)20-10-6-13-29-20/h3-6,8-10,13-14,16H,2,7,11-12H2,1H3,(H,24,27)