2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-ethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-ethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-ethyl-quinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3OS/c1-2-15-7-8-18-16(11-15)12-17(13-21)20(22-18)25-14-19(24)23-9-5-3-4-6-10-23/h7-8,11-12H,2-6,9-10,14H2,1H3