3-(1-adamantylsulfanyl)-5-phenyl-pyridine

Systemtic Name: 3-(1-adamantylsulfanyl)-5-phenyl-pyridine Openeye Name: 3-(1-adamantylsulfanyl)-5-phenyl-pyridine CAS Name: 3-(1-adamantylthio)-5-phenylpyridine IUPAC Name: 3-(1-adamantylsulfanyl)-5-phenylpyridine Traditional Name: 3-(1-adamantylthio)-5-phenyl-pyridine Formula: C21H23NS MolecularWeight: 321.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SC4=CN=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SC4=CN=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H23NS/c1-2-4-18(5-3-1)19-9-20(14-22-13-19)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,9,13-17H,6-8,10-12H2