3-(1,3-benzodioxol-5-yl)-5-phenethylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-phenethylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-phenethylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(phenethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-phenethylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(phenethylthio)-4-phenyl-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)C3=NN=C(N3C4=CC=CC=C4)SCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC5=CC=CC=C5

InChI

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