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

Systemtic Name: (E)-2-cyano-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]-2-cyano-N-(3-ethoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-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)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-N-(3-ethoxypropyl)acrylamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-2-29-12-7-11-25-23(28)19(15-24)14-20-17-27(16-18-8-4-3-5-9-18)26-22(20)21-10-6-13-30-21/h3-6,8-10,13-14,17H,2,7,11-12,16H2,1H3,(H,25,28)/b19-14+