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

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

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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(=CC=C3)OC

Isomeric SMILES

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

InChI

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