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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]propionamide Formula: C21H27BrN4OS MolecularWeight: 463.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C#N)C)Br

InChI

InChI=1S/C21H27BrN4OS/c1-12-19(22)13(2)26(25-12)9-8-18(27)24-20-16(11-23)15-7-6-14(21(3,4)5)10-17(15)28-20/h14H,6-10H2,1-5H3,(H,24,27)/t14-/m1/s1