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

Systemtic Name: 2,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 2,6-dimethyl-4-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 4-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-2,6-dimethyl-nicotinonitrile Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SCC(=O)N2CCN(CC2)C)C#N)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SCC(=O)N2CCN(CC2)C)C#N)C

InChI

InChI=1S/C15H20N4OS/c1-11-8-14(13(9-16)12(2)17-11)21-10-15(20)19-6-4-18(3)5-7-19/h8H,4-7,10H2,1-3H3