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

Systemtic Name: dimethyl-[(1R)-1-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]azanium Openeye Name: [(1R)-1-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]ammonium IUPAC Name: [(1R)-1-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-dimethyl-ammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=S)N1CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NNC(=S)N1CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C13H18N4S/c1-10(16(2)3)12-14-15-13(18)17(12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)/p+1/t10-/m1/s1