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

Systemtic Name: 2-[5-methoxy-2-(phenylmethyl)-1-benzothiophen-3-yl]ethanenitrile Openeye Name: 2-(2-benzyl-5-methoxy-benzothiophen-3-yl)acetonitrile CAS Name: 2-[5-methoxy-2-(phenylmethyl)-1-benzothiophen-3-yl]acetonitrile IUPAC Name: 2-(2-benzyl-5-methoxy-1-benzothiophen-3-yl)acetonitrile Traditional Name: 2-(2-benzyl-5-methoxy-benzothiophen-3-yl)acetonitrile Formula: C18H15NOS MolecularWeight: 293.3828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NOS/c1-20-14-7-8-17-16(12-14)15(9-10-19)18(21-17)11-13-5-3-2-4-6-13/h2-8,12H,9,11H2,1H3