4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C24H19N5O5S MolecularWeight: 489.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C24H19N5O5S/c25-22(30)17-7-8-18(19(11-17)29(31)32)13-35-24-27-26-23(16-4-2-1-3-5-16)28(24)12-15-6-9-20-21(10-15)34-14-33-20/h1-11H,12-14H2,(H2,25,30)