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

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-7-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-7-methyl-quinoline-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)C3=C(C=CC(=C3)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)C3=C(C=CC(=C3)OC)OC)C#N

InChI

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