3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]indol-1-yl]propionitrile Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C24H21N3OS/c1-16-7-5-9-18-17(2)13-23(26-24(16)18)29-15-22(28)20-14-27(12-6-11-25)21-10-4-3-8-19(20)21/h3-5,7-10,13-14H,6,12,15H2,1-2H3