4-bromanyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-bromo-2-ethyl-pyrazole-3-carboxamide Formula: C20H25BrN4OS MolecularWeight: 449.4077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=NN3CC)Br

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=NN3CC)Br

InChI

InChI=1S/C20H25BrN4OS/c1-5-20(3,4)12-7-8-13-14(10-22)19(27-16(13)9-12)24-18(26)17-15(21)11-23-25(17)6-2/h11-12H,5-9H2,1-4H3,(H,24,26)