3-[3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-indan-5-ylsulfanylacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(indan-5-ylthio)acetyl]indol-1-yl]propionitrile Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H20N2OS/c23-11-4-12-24-14-20(19-7-1-2-8-21(19)24)22(25)15-26-18-10-9-16-5-3-6-17(16)13-18/h1-2,7-10,13-14H,3-6,12,15H2