4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-olate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-olate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-olate Formula: C17H13N4O5S- MolecularWeight: 385.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3SCC4=CC(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3SCC4=CC(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O5S/c22-16-18-19-17(27-10-11-2-1-3-13(8-11)21(23)24)20(16)12-4-5-14-15(9-12)26-7-6-25-14/h1-5,8-9H,6-7,10H2,(H,18,22)/p-1