3-[3-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]indol-1-yl]propionitrile Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C)C

InChI

InChI=1S/C23H24N2OS/c1-15-12-16(2)18(4)23(17(15)3)27-14-22(26)20-13-25(11-7-10-24)21-9-6-5-8-19(20)21/h5-6,8-9,12-13H,7,11,14H2,1-4H3