5,7-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 5,7-dimethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 5,7-dimethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 5,7-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

InChI

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