1-phenyl-3-pyridin-3-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-3-pyridin-3-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(3-pyridyl)-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-3-(3-pyridinyl)-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-3-pyridin-3-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(3-pyridyl)-N-[2-(2-thenylthio)ethyl]pyrazole-4-carboxamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCSCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCSCC4=CC=CS4

InChI

InChI=1S/C22H20N4OS2/c27-22(24-11-13-28-16-19-9-5-12-29-19)20-15-26(18-7-2-1-3-8-18)25-21(20)17-6-4-10-23-14-17/h1-10,12,14-15H,11,13,16H2,(H,24,27)