3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCC[NH3+]

InChI

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