3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenyl-1,2,4-triazole Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H18ClN3O2S/c24-19-11-17-13-28-15-29-21(17)18(12-19)14-30-23-26-25-22(16-7-3-1-4-8-16)27(23)20-9-5-2-6-10-20/h1-12H,13-15H2