4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole Openeye Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole CAS Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-7-nitro-benzofurazan Formula: C15H10N6O3S MolecularWeight: 354.3433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C15H10N6O3S/c1-20-14(9-5-3-2-4-6-9)16-17-15(20)25-11-8-7-10(21(22)23)12-13(11)19-24-18-12/h2-8H,1H3