2-[3-(4,6-dimethylpyrimidin-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-(4,6-dimethyl-2-pyrimidinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethylammonium IUPAC Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethylazanium Traditional Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl-diethyl-ammonium Formula: C14H23N6S+ MolecularWeight: 307.43762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=NNC1=S)C2=NC(=CC(=N2)C)C

Isomeric SMILES

CC[NH+](CC)CCN1C(=NNC1=S)C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C14H22N6S/c1-5-19(6-2)7-8-20-13(17-18-14(20)21)12-15-10(3)9-11(4)16-12/h9H,5-8H2,1-4H3,(H,18,21)/p+1