4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4,6,8-trimethyl-2-quinolyl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4,6,8-trimethyl-2-quinolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4,6,8-trimethyl-2-quinolyl)thio]methyl]benzonitrile Formula: C20H18N2S MolecularWeight: 318.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C#N)C)C

InChI

InChI=1S/C20H18N2S/c1-13-8-15(3)20-18(9-13)14(2)10-19(22-20)23-12-17-6-4-16(11-21)5-7-17/h4-10H,12H2,1-3H3