2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzothiophen-3-yl]ethanenitrile

Systemtic Name: 2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzothiophen-3-yl]ethanenitrile Openeye Name: 2-[5-methoxy-2-(3-pyridylmethyl)benzothiophen-3-yl]acetonitrile CAS Name: 2-[5-methoxy-2-(3-pyridinylmethyl)-1-benzothiophen-3-yl]acetonitrile IUPAC Name: 2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzothiophen-3-yl]acetonitrile Traditional Name: 2-[5-methoxy-2-(3-pyridylmethyl)benzothiophen-3-yl]acetonitrile Formula: C17H14N2OS MolecularWeight: 294.37086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2CC#N)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2CC#N)CC3=CN=CC=C3

InChI

InChI=1S/C17H14N2OS/c1-20-13-4-5-16-15(10-13)14(6-7-18)17(21-16)9-12-3-2-8-19-11-12/h2-5,8,10-11H,6,9H2,1H3