3-(3-ethyl-2,8-dimethyl-quinolin-4-yl)sulfanylpropanenitrile

Systemtic Name: 3-(3-ethyl-2,8-dimethyl-quinolin-4-yl)sulfanylpropanenitrile Openeye Name: 3-[(3-ethyl-2,8-dimethyl-4-quinolyl)sulfanyl]propanenitrile CAS Name: 3-[(3-ethyl-2,8-dimethyl-4-quinolinyl)thio]propanenitrile IUPAC Name: 3-(3-ethyl-2,8-dimethylquinolin-4-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-ethyl-2,8-dimethyl-4-quinolyl)thio]propionitrile Formula: C16H18N2S MolecularWeight: 270.39252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCCC#N

Isomeric SMILES

CCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCCC#N

InChI

InChI=1S/C16H18N2S/c1-4-13-12(3)18-15-11(2)7-5-8-14(15)16(13)19-10-6-9-17/h5,7-8H,4,6,10H2,1-3H3