3-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium

Systemtic Name: 3-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Openeye Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propylammonium CAS Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propylammonium IUPAC Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium Traditional Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C9H20N5S+ MolecularWeight: 230.3536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCCC[NH3+]

Isomeric SMILES

CCCCC1=NN=C(N1N)SCCC[NH3+]

InChI

InChI=1S/C9H19N5S/c1-2-3-5-8-12-13-9(14(8)11)15-7-4-6-10/h2-7,10-11H2,1H3/p+1