6-ethoxy-2-[(4-methylphenyl)methylsulfanyl]quinoline-3-carbonitrile

Systemtic Name: 6-ethoxy-2-[(4-methylphenyl)methylsulfanyl]quinoline-3-carbonitrile Openeye Name: 6-ethoxy-2-(p-tolylmethylsulfanyl)quinoline-3-carbonitrile CAS Name: 6-ethoxy-2-[(4-methylphenyl)methylthio]-3-quinolinecarbonitrile IUPAC Name: 6-ethoxy-2-[(4-methylphenyl)methylsulfanyl]quinoline-3-carbonitrile Traditional Name: 6-ethoxy-2-[(4-methylbenzyl)thio]quinoline-3-carbonitrile Formula: C20H18N2OS MolecularWeight: 334.43472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N2OS/c1-3-23-18-8-9-19-16(11-18)10-17(12-21)20(22-19)24-13-15-6-4-14(2)5-7-15/h4-11H,3,13H2,1-2H3