2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-8-methyl-quinoline-3-carbonitrile Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H24N4O2S/c1-17-6-5-7-18-14-19(15-25)24(26-23(17)18)31-16-22(29)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14H,10-13,16H2,1-2H3