[2-(1-adamantyl)isoindol-1-yl] thiocyanate

Systemtic Name: [2-(1-adamantyl)isoindol-1-yl] thiocyanate Openeye Name: [2-(1-adamantyl)isoindol-1-yl] thiocyanate CAS Name: thiocyanic acid [2-(1-adamantyl)-1-isoindolyl] ester IUPAC Name: [2-(1-adamantyl)isoindol-1-yl] thiocyanate Traditional Name: thiocyanic acid [2-(1-adamantyl)isoindol-1-yl] ester Formula: C19H20N2S MolecularWeight: 308.4405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C5C=CC=CC5=C4SC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C5C=CC=CC5=C4SC#N

InChI

InChI=1S/C19H20N2S/c20-12-22-18-17-4-2-1-3-16(17)11-21(18)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,11,13-15H,5-10H2