4-methoxy-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-methoxy-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-methoxy-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-methoxy-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-methoxy-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]-4-methoxy-nicotinonitrile Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C#N

Isomeric SMILES

COC1=C(C(=NC=C1)SCC(=O)N2CCN(CC2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C18H19N5O2S/c1-25-15-5-7-21-18(14(15)12-19)26-13-17(24)23-10-8-22(9-11-23)16-4-2-3-6-20-16/h2-7H,8-11,13H2,1H3