2-[2-(2-phenylsulfanylethyl)-1-benzofuran-6-yl]ethanenitrile

Systemtic Name: 2-[2-(2-phenylsulfanylethyl)-1-benzofuran-6-yl]ethanenitrile Openeye Name: 2-[2-(2-phenylsulfanylethyl)benzofuran-6-yl]acetonitrile CAS Name: 2-[2-[2-(phenylthio)ethyl]-6-benzofuranyl]acetonitrile IUPAC Name: 2-[2-(2-phenylsulfanylethyl)-1-benzofuran-6-yl]acetonitrile Traditional Name: 2-[2-[2-(phenylthio)ethyl]benzofuran-6-yl]acetonitrile Formula: C18H15NOS MolecularWeight: 293.3828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC2=CC3=C(O2)C=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)SCCC2=CC3=C(O2)C=C(C=C3)CC#N

InChI

InChI=1S/C18H15NOS/c19-10-8-14-6-7-15-13-16(20-18(15)12-14)9-11-21-17-4-2-1-3-5-17/h1-7,12-13H,8-9,11H2