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

Systemtic Name: [(1R)-1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1R)-1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=S)N1C2=CC=C(C=C2)OC)[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NNC(=S)N1C2=CC=C(C=C2)OC)[NH+](C)C

InChI

InChI=1S/C14H20N4OS/c1-5-12(17(2)3)13-15-16-14(20)18(13)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3,(H,16,20)/p+1/t12-/m1/s1