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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[(4-methyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C13H19N4OS+ MolecularWeight: 279.38116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH3+])CC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCC[NH3+])CC2=CC=C(C=C2)OC

InChI

InChI=1S/C13H18N4OS/c1-17-12(15-16-13(17)19-8-7-14)9-10-3-5-11(18-2)6-4-10/h3-6H,7-9,14H2,1-2H3/p+1