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

Systemtic Name: 2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C12H18N5OS+ MolecularWeight: 280.36922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC[NH3+]

InChI

InChI=1S/C12H17N5OS/c1-18-10-4-2-9(3-5-10)8-11-15-16-12(17(11)14)19-7-6-13/h2-5H,6-8,13-14H2,1H3/p+1