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

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

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