3-(3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile

Systemtic Name: 3-(3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile Openeye Name: 3-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]propanenitrile CAS Name: 3-[(3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile IUPAC Name: 3-(3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-butyl-2-methyl-4-quinolyl)thio]propionitrile Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC#N

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC#N

InChI

InChI=1S/C17H20N2S/c1-3-4-8-14-13(2)19-16-10-6-5-9-15(16)17(14)20-12-7-11-18/h5-6,9-10H,3-4,7-8,12H2,1-2H3