2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC(=CC=C3)OC)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC(=CC=C3)OC)C#N)C

InChI

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