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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC[NH3+])C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCCC[NH3+])C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H18N4OS/c1-17-12(10-4-6-11(18-2)7-5-10)15-16-13(17)19-9-3-8-14/h4-7H,3,8-9,14H2,1-2H3/p+1