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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-17-18(2)21(15-24)23(25-19(17)3)30-16-22(28)27-11-9-26(10-12-27)13-14-29-20-7-5-4-6-8-20/h4-8H,9-14,16H2,1-3H3