3-[3-[2-(4-methoxyphenyl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-methoxyphenyl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-methoxyphenyl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-methoxyphenyl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4-methoxyphenyl)thio]acetyl]indol-1-yl]propionitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H18N2O2S/c1-24-15-7-9-16(10-8-15)25-14-20(23)18-13-22(12-4-11-21)19-6-3-2-5-17(18)19/h2-3,5-10,13H,4,12,14H2,1H3