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

Systemtic Name: 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile Openeye Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanenitrile CAS Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolinyl)thio]propanenitrile IUPAC Name: 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]propionitrile Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/c1-4-5-7-15-13(2)20-17-9-8-14(21-3)12-16(17)18(15)22-11-6-10-19/h8-9,12H,4-7,11H2,1-3H3