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

Systemtic Name: 3-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C13H20N5S+ MolecularWeight: 278.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC[NH3+]

InChI

InChI=1S/C13H19N5S/c1-10-3-5-11(6-4-10)9-12-16-17-13(18(12)15)19-8-2-7-14/h3-6H,2,7-9,14-15H2,1H3/p+1