3-(6-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile

Systemtic Name: 3-(6-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile Openeye Name: 3-[(6-bromo-3-butyl-2-methyl-4-quinolyl)sulfanyl]propanenitrile CAS Name: 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile IUPAC Name: 3-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile Traditional Name: 3-[(6-bromo-3-butyl-2-methyl-4-quinolyl)thio]propionitrile Formula: C17H19BrN2S MolecularWeight: 363.31516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2S/c1-3-4-6-14-12(2)20-16-8-7-13(18)11-15(16)17(14)21-10-5-9-19/h7-8,11H,3-6,10H2,1-2H3