2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-5,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-5,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-5,8-dimethyl-quinoline-3-carbonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-13-7-8-14(2)20-18(13)10-16(11-22)21(23-20)26-12-19(24)15-5-4-6-17(9-15)25-3/h4-10H,12H2,1-3H3