1-(phenylmethyl)-3-pyridin-3-yl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-3-pyridin-3-yl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-pyridyl)-N-[2-(2-thienyl)ethyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-N-(2-thiophen-2-ylethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-pyridin-3-yl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3-pyridyl)-N-[2-(2-thienyl)ethyl]pyrazole-4-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H20N4OS/c27-22(24-12-10-19-9-5-13-28-19)20-16-26(15-17-6-2-1-3-7-17)25-21(20)18-8-4-11-23-14-18/h1-9,11,13-14,16H,10,12,15H2,(H,24,27)