4-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenoxyethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(2-phenoxyethylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c1-3-7-19(8-4-1)23-25-26-24(31-14-13-28-20-9-5-2-6-10-20)27(23)16-18-11-12-21-22(15-18)30-17-29-21/h1-12,15H,13-14,16-17H2