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

Systemtic Name: 3-[3-(dimethylamino)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylamino)-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylamino)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylamino)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylamino)-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C9H20N5S+ MolecularWeight: 230.3536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=S)NN=C1N(C)C

Isomeric SMILES

C[NH+](C)CCCN1C(=S)NN=C1N(C)C

InChI

InChI=1S/C9H19N5S/c1-12(2)6-5-7-14-8(13(3)4)10-11-9(14)15/h5-7H2,1-4H3,(H,11,15)/p+1