(5S,7R)-1-chloranyl-3-(phenylmethylsulfanyl)adamantane

Systemtic Name: (5S,7R)-1-chloranyl-3-(phenylmethylsulfanyl)adamantane Openeye Name: (5S,7R)-1-benzylsulfanyl-3-chloro-adamantane CAS Name: (5S,7R)-1-chloro-3-(phenylmethylthio)adamantane IUPAC Name: (5S,7R)-1-benzylsulfanyl-3-chloroadamantane Traditional Name: (5S,7R)-1-(benzylthio)-3-chloro-adamantane Formula: C17H21ClS MolecularWeight: 292.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C17H21ClS/c18-16-7-14-6-15(8-16)10-17(9-14,12-16)19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15+,16?,17?