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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-quinoline-3-carbonitrile Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H21N3OS/c1-14-6-7-17-15(10-14)11-16(12-20)19(21-17)24-13-18(23)22-8-4-2-3-5-9-22/h6-7,10-11H,2-5,8-9,13H2,1H3