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

Systemtic Name: 3-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[(4-methyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]propylammonium Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC[NH3+])CC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCCC[NH3+])CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H20N4OS/c1-18-13(16-17-14(18)20-9-3-8-15)10-11-4-6-12(19-2)7-5-11/h4-7H,3,8-10,15H2,1-2H3/p+1