5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-furamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-11-18(21)12(2)25(24-11)10-13-7-8-16(27-13)19(26)23-20-15(9-22)14-5-3-4-6-17(14)28-20/h7-8H,3-6,10H2,1-2H3,(H,23,26)