4,6-dimethyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4O2S/c1-17-14-18(2)24-22(20(17)15-23)29-16-21(27)26-10-8-25(9-11-26)12-13-28-19-6-4-3-5-7-19/h3-7,14H,8-13,16H2,1-2H3