2-(1-adamantylsulfanylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(1-adamantylsulfanylmethyl)-1,3-benzoxazole Openeye Name: 2-(1-adamantylsulfanylmethyl)-1,3-benzoxazole CAS Name: 2-[(1-adamantylthio)methyl]-1,3-benzoxazole IUPAC Name: 2-(1-adamantylsulfanylmethyl)-1,3-benzoxazole Traditional Name: 2-[(1-adamantylthio)methyl]-1,3-benzoxazole Formula: C18H21NOS MolecularWeight: 299.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C18H21NOS/c1-2-4-16-15(3-1)19-17(20-16)11-21-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2