[(1R)-1-(3-methoxyphenyl)-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(3-methoxyphenyl)-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3-methoxyphenyl)-2-(5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3-methoxyphenyl)-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3-methoxyphenyl)-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(3-methoxyphenyl)-2-(5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]-dimethyl-ammonium Formula: C13H19N4OS+ MolecularWeight: 279.38116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1C=NNC1=S)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@@H](CN1C=NNC1=S)C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H18N4OS/c1-16(2)12(8-17-9-14-15-13(17)19)10-5-4-6-11(7-10)18-3/h4-7,9,12H,8H2,1-3H3,(H,15,19)/p+1/t12-/m0/s1