2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-2-furylmethyleneamino]acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-2-furanylmethylideneamino]acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide Traditional Name: N-[(E)-2-furfurylideneamino]-2-[(4-phenyl-5-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(N3C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(N3C4=CC=CC=C4)SCC(=O)N/N=C/C5=CC=CO5

InChI

InChI=1S/C23H19N5O4S/c29-22(26-24-13-18-7-4-10-30-18)14-33-23-27-25-21(28(23)17-5-2-1-3-6-17)12-16-8-9-19-20(11-16)32-15-31-19/h1-11,13H,12,14-15H2,(H,26,29)/b24-13+