3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propionamide Formula: C22H29BrN4OS MolecularWeight: 477.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)Br

InChI

InChI=1S/C22H29BrN4OS/c1-12(11-27-14(3)19(23)13(2)26-27)20(28)25-21-17(10-24)16-8-7-15(22(4,5)6)9-18(16)29-21/h12,15H,7-9,11H2,1-6H3,(H,25,28)