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

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(1-phenylethyl)piperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-16-13-17(2)24-22(20(16)14-23)28-15-21(27)26-11-9-25(10-12-26)18(3)19-7-5-4-6-8-19/h4-8,13,18H,9-12,15H2,1-3H3