2-(4-bromanylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C=C(C=N3)Br

InChI

InChI=1S/C16H17BrN4OS/c1-2-13(21-9-10(17)8-19-21)15(22)20-16-12(7-18)11-5-3-4-6-14(11)23-16/h8-9,13H,2-6H2,1H3,(H,20,22)