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

Systemtic Name: 2-[[4-azanyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-amino-5-(2,5-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C13H20N5S+ MolecularWeight: 278.3964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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