6-(1-adamantyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-(2-pyridylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(2-pyridinylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(2-pyridylmethylthio)nicotinonitrile Formula: C22H23N3S MolecularWeight: 361.50312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC5=CC=CC=N5

InChI

InChI=1S/C22H23N3S/c23-13-18-4-5-20(25-21(18)26-14-19-3-1-2-6-24-19)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-12,14H2