4-butan-2-ylsulfanylquinoline-3-carbonitrile

Systemtic Name: 4-butan-2-ylsulfanylquinoline-3-carbonitrile Openeye Name: 4-sec-butylsulfanylquinoline-3-carbonitrile CAS Name: 4-(butan-2-ylthio)-3-quinolinecarbonitrile IUPAC Name: 4-butan-2-ylsulfanylquinoline-3-carbonitrile Traditional Name: 4-(sec-butylthio)quinoline-3-carbonitrile Formula: C14H14N2S MolecularWeight: 242.33936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=NC2=CC=CC=C21)C#N

Isomeric SMILES

CCC(C)SC1=C(C=NC2=CC=CC=C21)C#N

InChI

InChI=1S/C14H14N2S/c1-3-10(2)17-14-11(8-15)9-16-13-7-5-4-6-12(13)14/h4-7,9-10H,3H2,1-2H3