7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione

Systemtic Name: 7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione Openeye Name: 7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione CAS Name: 7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione IUPAC Name: 7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione Traditional Name: 7-butyl-4-nitro-3H-1,3-benzoxazole-2-thione Formula: C11H12N2O3S MolecularWeight: 252.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=S)O2

Isomeric SMILES

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=S)O2

InChI

InChI=1S/C11H12N2O3S/c1-2-3-4-7-5-6-8(13(14)15)9-10(7)16-11(17)12-9/h5-6H,2-4H2,1H3,(H,12,17)