4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C24H25BrN4OS MolecularWeight: 497.4505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C24H25BrN4OS/c1-24(2,3)17-8-9-19-20(11-26)23(31-21(19)10-17)28-22(30)16-6-4-15(5-7-16)13-29-14-18(25)12-27-29/h4-7,12,14,17H,8-10,13H2,1-3H3,(H,28,30)/t17-/m1/s1