5-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1H-1,2,4-triazole Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC=NN4)Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=NC=NN4)Br

InChI

InChI=1S/C17H14BrN3O2S/c18-14-6-12-8-22-16(11-4-2-1-3-5-11)23-15(12)13(7-14)9-24-17-19-10-20-21-17/h1-7,10,16H,8-9H2,(H,19,20,21)/t16-/m0/s1