2-[5-ethyl-2-(phenylmethyl)-1-benzothiophen-3-yl]ethanenitrile

Systemtic Name: 2-[5-ethyl-2-(phenylmethyl)-1-benzothiophen-3-yl]ethanenitrile Openeye Name: 2-(2-benzyl-5-ethyl-benzothiophen-3-yl)acetonitrile CAS Name: 2-[5-ethyl-2-(phenylmethyl)-1-benzothiophen-3-yl]acetonitrile IUPAC Name: 2-(2-benzyl-5-ethyl-1-benzothiophen-3-yl)acetonitrile Traditional Name: 2-(2-benzyl-5-ethyl-benzothiophen-3-yl)acetonitrile Formula: C19H17NS MolecularWeight: 291.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC(=C2CC#N)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)SC(=C2CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H17NS/c1-2-14-8-9-18-17(12-14)16(10-11-20)19(21-18)13-15-6-4-3-5-7-15/h3-9,12H,2,10,13H2,1H3