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

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N

InChI

InChI=1S/C20H17BrN4OS/c21-15-10-23-25(12-15)11-13-5-7-14(8-6-13)19(26)24-20-17(9-22)16-3-1-2-4-18(16)27-20/h5-8,10,12H,1-4,11H2,(H,24,26)