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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-28-11-6-10-24-22(27)18(14-23)13-19-16-26(15-17-7-3-2-4-8-17)25-21(19)20-9-5-12-29-20/h2-5,7-9,12-13,16H,6,10-11,15H2,1H3,(H,24,27)/b18-13-