3-chloranyl-N-(2-cyanoethyl)-6-fluoranyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-cyanoethyl)-6-fluoranyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(2-cyanoethyl)-6-fluoro-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(2-cyanoethyl)-6-fluoro-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-cyanoethyl)-6-fluoro-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C18H13ClFN3OS MolecularWeight: 373.831723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFN3OS/c19-16-14-5-4-13(20)9-15(14)25-17(16)18(24)23(8-2-6-21)11-12-3-1-7-22-10-12/h1,3-5,7,9-10H,2,8,11H2