2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC[NH3+]

Isomeric SMILES

C[C@]1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC[NH3+]

InChI

InChI=1S/C14H18N4O2S/c1-14(9-19-10-5-3-4-6-11(10)20-14)12-16-17-13(18(12)2)21-8-7-15/h3-6H,7-9,15H2,1-2H3/p+1/t14-/m0/s1