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

Systemtic Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-27-11-6-10-23-21(26)16(14-22)13-17-15-25(18-7-3-2-4-8-18)24-20(17)19-9-5-12-28-19/h2-5,7-9,12-13,15H,6,10-11H2,1H3,(H,23,26)/b16-13-