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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-7-nitro-2,1,3-benzoxadiazole Openeye Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-7-nitro-2,1,3-benzoxadiazole CAS Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-7-nitro-benzofurazan Formula: C15H10N6O4S MolecularWeight: 370.3427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O4S/c1-24-9-4-2-8(3-5-9)14-16-15(18-17-14)26-11-7-6-10(21(22)23)12-13(11)20-25-19-12/h2-7H,1H3,(H,16,17,18)