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

Systemtic Name: dimethyl-[(1S)-1-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]ammonium CAS Name: dimethyl-[(1S)-1-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]azanium Traditional Name: dimethyl-[(1S)-1-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]ammonium Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4S/c1-9(15(2)3)11-13-14-12(17)16(11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,17)/p+1/t9-/m0/s1