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

Systemtic Name: dimethyl-[(1R)-1-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propyl]azanium Openeye Name: [(1R)-1-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propyl]ammonium IUPAC Name: [(1R)-1-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]-dimethylazanium Traditional Name: [(1R)-1-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)propyl]-dimethyl-ammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4S/c1-4-12(17(2)3)13-15-16-14(19)18(13)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,16,19)/p+1/t12-/m1/s1