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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NNC(=N4)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=NNC(=N4)N)F

InChI

InChI=1S/C17H15FN4O2S/c18-13-6-11-8-23-15(10-4-2-1-3-5-10)24-14(11)12(7-13)9-25-17-20-16(19)21-22-17/h1-7,15H,8-9H2,(H3,19,20,21,22)/t15-/m0/s1