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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-ethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-ethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-ethyl-quinoline-3-carbonitrile Formula: C22H20N2O3S MolecularWeight: 392.4708

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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)OC)OC

Isomeric SMILES

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

InChI

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