6-isothiocyanato-2-pentyl-1,3-benzoxazole

Systemtic Name: 6-isothiocyanato-2-pentyl-1,3-benzoxazole Openeye Name: 6-isothiocyanato-2-pentyl-1,3-benzoxazole CAS Name: 6-isothiocyanato-2-pentyl-1,3-benzoxazole IUPAC Name: 6-isothiocyanato-2-pentyl-1,3-benzoxazole Traditional Name: 2-amyl-6-isothiocyanato-1,3-benzoxazole Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(O1)C=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1=NC2=C(O1)C=C(C=C2)N=C=S

InChI

InChI=1S/C13H14N2OS/c1-2-3-4-5-13-15-11-7-6-10(14-9-17)8-12(11)16-13/h6-8H,2-5H2,1H3