3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(2-amino-2-oxoethyl)thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-(2-amino-2-oxoethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C14H21N6OS+ MolecularWeight: 321.42114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N)C2=CC=NC=C2

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N)C2=CC=NC=C2

InChI

InChI=1S/C14H20N6OS/c1-19(2)8-3-9-20-13(11-4-6-16-7-5-11)17-18-14(20)22-10-12(15)21/h4-7H,3,8-10H2,1-2H3,(H2,15,21)/p+1