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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC(=C(C=C3)OC)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)C3=CC(=C(C=C3)OC)OC)C#N)C

InChI

InChI=1S/C22H20N2O3S/c1-13-7-14(2)17-9-16(11-23)22(24-18(17)8-13)28-12-19(25)15-5-6-20(26-3)21(10-15)27-4/h5-10H,12H2,1-4H3