4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]thiomorpholin-4-ium

Systemtic Name: 4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]thiomorpholin-4-ium Openeye Name: 4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]thiomorpholin-4-ium CAS Name: 4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]thiomorpholin-4-ium IUPAC Name: 4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]thiomorpholin-4-ium Traditional Name: 4-[3-(1H-1,2,4-triazol-5-yl)benzyl]thiomorpholin-4-ium Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=CC(=C2)C3=NC=NN3

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=CC(=C2)C3=NC=NN3

InChI

InChI=1S/C13H16N4S/c1-2-11(9-17-4-6-18-7-5-17)8-12(3-1)13-14-10-15-16-13/h1-3,8,10H,4-7,9H2,(H,14,15,16)/p+1