3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine CAS Name: 3-(1,3-benzoxazol-2-ylthio)-1-pentanamine IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine Traditional Name: 3-(1,3-benzoxazol-2-ylthio)pentylamine Formula: C12H16N2OS MolecularWeight: 236.33324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCC(CCN)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C12H16N2OS/c1-2-9(7-8-13)16-12-14-10-5-3-4-6-11(10)15-12/h3-6,9H,2,7-8,13H2,1H3