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

Systemtic Name: 2-cyano-N-phenethyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: 2-cyano-N-phenethyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-phenethyl-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: 2-cyano-N-phenethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: 2-cyano-N-phenethyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N4OS/c26-17-20(25(30)27-14-13-19-8-3-1-4-9-19)16-21-18-29(22-10-5-2-6-11-22)28-24(21)23-12-7-15-31-23/h1-12,15-16,18H,13-14H2,(H,27,30)