2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-methyl-quinoline-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H18N2O3S/c1-13-4-6-17-15(8-13)9-16(11-22)21(23-17)27-12-18(24)14-5-7-19(25-2)20(10-14)26-3/h4-10H,12H2,1-3H3