5-isothiocyanato-2-octyl-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-octyl-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-octyl-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-octyl-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-octyl-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-octyl-1,3-benzoxazole Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC2=C(O1)C=CC(=C2)N=C=S

Isomeric SMILES

CCCCCCCCC1=NC2=C(O1)C=CC(=C2)N=C=S

InChI

InChI=1S/C16H20N2OS/c1-2-3-4-5-6-7-8-16-18-14-11-13(17-12-20)9-10-15(14)19-16/h9-11H,2-8H2,1H3