N-[4-(1-adamantyl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-cyanophenyl)methylthio]benzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(4-cyanobenzyl)thio]benzamide Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=C(C=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H30N2OS/c32-19-21-5-7-22(8-6-21)20-35-29-4-2-1-3-28(29)30(34)33-27-11-9-26(10-12-27)31-16-23-13-24(17-31)15-25(14-23)18-31/h1-12,23-25H,13-18,20H2,(H,33,34)