4-(4-methoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-31-21-12-10-19(11-13-21)22-16-24(20-8-4-2-5-9-20)28-26(23(22)17-27)32-18-25(30)29-14-6-3-7-15-29/h2,4-5,8-13,16H,3,6-7,14-15,18H2,1H3