6-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]quinoline-3-carbonitrile Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H18N2OS/c1-3-15-6-9-19-17(10-15)11-18(12-22)21(23-19)25-13-20(24)16-7-4-14(2)5-8-16/h4-11H,3,13H2,1-2H3