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

Systemtic Name: 3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C22H18BrN5O2S MolecularWeight: 496.37962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=C(N4N)C5=CN=CC=C5)Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=NN=C(N4N)C5=CN=CC=C5)Br

InChI

InChI=1S/C22H18BrN5O2S/c23-18-9-16-12-29-21(14-5-2-1-3-6-14)30-19(16)17(10-18)13-31-22-27-26-20(28(22)24)15-7-4-8-25-11-15/h1-11,21H,12-13,24H2/t21-/m0/s1