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

Systemtic Name: dimethyl-[3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]azanium Openeye Name: dimethyl-[3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propyl]ammonium CAS Name: dimethyl-[3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]ammonium IUPAC Name: dimethyl-[3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]azanium Traditional Name: dimethyl-[3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propyl]ammonium Formula: C12H18N5S+ MolecularWeight: 264.36982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NNC1=S)C2=CC=NC=C2

Isomeric SMILES

C[NH+](C)CCCN1C(=NNC1=S)C2=CC=NC=C2

InChI

InChI=1S/C12H17N5S/c1-16(2)8-3-9-17-11(14-15-12(17)18)10-4-6-13-7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,18)/p+1