5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzoxazole

Systemtic Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzoxazole Openeye Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzoxazole CAS Name: 3-mercapto-5-nitro-6-propyl-2H-1,3-benzoxazole IUPAC Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzoxazole Traditional Name: 3-mercapto-5-nitro-6-propyl-2H-1,3-benzoxazole Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1[N+](=O)[O-])N(CO2)S

Isomeric SMILES

CCCC1=CC2=C(C=C1[N+](=O)[O-])N(CO2)S

InChI

InChI=1S/C10H12N2O3S/c1-2-3-7-4-10-9(11(16)6-15-10)5-8(7)12(13)14/h4-5,16H,2-3,6H2,1H3