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

Systemtic Name: 3-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C13H20N5OS+ MolecularWeight: 294.3958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5OS/c1-19-11-5-3-10(4-6-11)9-12-16-17-13(18(12)15)20-8-2-7-14/h3-6H,2,7-9,14-15H2,1H3/p+1