1-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H15N3O4S MolecularWeight: 405.4265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C21H15N3O4S/c25-16(14-8-9-17-19(11-14)28-13-27-17)12-29-21-23-22-20(18-7-4-10-26-18)24(21)15-5-2-1-3-6-15/h1-11H,12-13H2