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

Systemtic Name: 3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propylazanium Openeye Name: 3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propylammonium CAS Name: 3-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]propylammonium IUPAC Name: 3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propylazanium Traditional Name: 3-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]propylammonium Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)CCC[NH3+]

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)CCC[NH3+]

InChI

InChI=1S/C12H16N4S/c1-17-12-15-14-11(8-5-9-13)16(12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,13H2,1H3/p+1