3-chloranyl-N-(2-cyanoethyl)-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-cyanoethyl)-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(2-cyanoethyl)-N-(4-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(2-cyanoethyl)-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-cyanoethyl)-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-cyanoethyl)-N-(4-pyridylmethyl)benzothiophene-2-carboxamide Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)N(CCC#N)CC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)N(CCC#N)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C18H14ClN3OS/c19-16-14-4-1-2-5-15(14)24-17(16)18(23)22(11-3-8-20)12-13-6-9-21-10-7-13/h1-2,4-7,9-10H,3,11-12H2