3-[3-(2-cyclopentylsulfanylethanoyl)indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyclopentylsulfanylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-cyclopentylsulfanylacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(cyclopentylthio)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-cyclopentylsulfanylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(cyclopentylthio)acetyl]indol-1-yl]propionitrile Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C1CCC(C1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C18H20N2OS/c19-10-5-11-20-12-16(15-8-3-4-9-17(15)20)18(21)13-22-14-6-1-2-7-14/h3-4,8-9,12,14H,1-2,5-7,11,13H2