3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)propylazanium

Systemtic Name: 3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)propylazanium Openeye Name: 3-(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylammonium CAS Name: 3-[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]propylammonium IUPAC Name: 3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)propylazanium Traditional Name: 3-[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]propylammonium Formula: C9H19N4S+ MolecularWeight: 215.33896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC)CCC[NH3+]

Isomeric SMILES

CC(C)N1C(=NN=C1SC)CCC[NH3+]

InChI

InChI=1S/C9H18N4S/c1-7(2)13-8(5-4-6-10)11-12-9(13)14-3/h7H,4-6,10H2,1-3H3/p+1