2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-o-phenetylpiperazino)ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C23H28N4O2S/c1-5-29-21-9-7-6-8-20(21)26-10-12-27(13-11-26)22(28)15-30-23-19(14-24)17(3)16(2)18(4)25-23/h6-9H,5,10-13,15H2,1-4H3