(E)-N-(3-ethoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-ethoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-(3-ethoxypropyl)prop-2-enamide CAS Name: (E)-N-(3-ethoxypropyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-N-(3-ethoxypropyl)acrylamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-2-27-14-7-13-23-21(26)12-11-19-17-25(16-18-8-4-3-5-9-18)24-22(19)20-10-6-15-28-20/h3-6,8-12,15,17H,2,7,13-14,16H2,1H3,(H,23,26)/b12-11+