4-(4-methoxyphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole Openeye Name: 4-(4-methoxyphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole CAS Name: 4-[(4-methoxyphenyl)thio]-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[(4-methoxyphenyl)thio]-7-nitro-benzofurazan Formula: C13H9N3O4S MolecularWeight: 303.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c1-19-8-2-4-9(5-3-8)21-11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3