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

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[(4-methyl-5-veratryl-1,2,4-triazol-3-yl)thio]ethylammonium Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-18-13(16-17-14(18)21-7-6-15)9-10-4-5-11(19-2)12(8-10)20-3/h4-5,8H,6-7,9,15H2,1-3H3/p+1