N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-3-carboxamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-3-carboxamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-3-carboxamide Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H20N4OS/c1-2-25-11-10-18(24-25)20(26)23-21-17(13-22)16-9-8-15(12-19(16)27-21)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12H2,1H3,(H,23,26)