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

Systemtic Name: 4,5,6-trimethyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3OS/c1-16-17(2)22(15-25)23(26-18(16)3)29-19(4)24(28)27-12-10-21(11-13-27)14-20-8-6-5-7-9-20/h5-9,19,21H,10-14H2,1-4H3