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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C24H20N4O3S MolecularWeight: 444.5056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=CC=C(C=C4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=CC=C(C=C4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3S/c25-22(29)18-9-6-16(7-10-18)14-32-24-27-26-23(19-4-2-1-3-5-19)28(24)13-17-8-11-20-21(12-17)31-15-30-20/h1-12H,13-15H2,(H2,25,29)