4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-benzamide Formula: C23H17N5O5S MolecularWeight: 475.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O5S/c24-21(29)14-10-11-20(16(12-14)28(30)31)34-23-26-25-22(27(23)15-6-2-1-3-7-15)19-13-32-17-8-4-5-9-18(17)33-19/h1-12,19H,13H2,(H2,24,29)