3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propylazanium

Systemtic Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propylazanium Openeye Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propylammonium IUPAC Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propylazanium Traditional Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propylammonium Formula: C8H17N4S+ MolecularWeight: 201.31238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCC[NH3+]

Isomeric SMILES

CCCC1=NC(=NN1)SCCC[NH3+]

InChI

InChI=1S/C8H16N4S/c1-2-4-7-10-8(12-11-7)13-6-3-5-9/h2-6,9H2,1H3,(H,10,11,12)/p+1