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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-3-7-17(8-4-1)15-29-23-25-24-22(19-9-5-2-6-10-19)26(23)14-18-11-12-20-21(13-18)28-16-27-20/h1-13H,14-16H2