N-[3-(4-chloranyl-2-phenyl-phenyl)sulfanylpropyl]adamantan-2-amine

Systemtic Name: N-[3-(4-chloranyl-2-phenyl-phenyl)sulfanylpropyl]adamantan-2-amine Openeye Name: N-[3-(4-chloro-2-phenyl-phenyl)sulfanylpropyl]adamantan-2-amine CAS Name: N-[3-[(4-chloro-2-phenylphenyl)thio]propyl]-2-adamantanamine IUPAC Name: N-[3-(4-chloro-2-phenylphenyl)sulfanylpropyl]adamantan-2-amine Traditional Name: 2-adamantyl-[3-[(4-chloro-2-phenyl-phenyl)thio]propyl]amine Formula: C25H30ClNS MolecularWeight: 412.0304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCCCSC4=C(C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCCCSC4=C(C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H30ClNS/c26-22-7-8-24(23(16-22)19-5-2-1-3-6-19)28-10-4-9-27-25-20-12-17-11-18(14-20)15-21(25)13-17/h1-3,5-8,16-18,20-21,25,27H,4,9-15H2