5-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-esyl-pyrimidine-4-carboxamide Formula: C16H15BrN4O3S2 MolecularWeight: 455.3493

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C16H15BrN4O3S2/c1-2-26(23,24)16-19-8-11(17)13(20-16)14(22)21-15-10(7-18)9-5-3-4-6-12(9)25-15/h8H,2-6H2,1H3,(H,21,22)