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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-18-13(16-17-14(18)21-6-4-5-15)10-7-11(19-2)9-12(8-10)20-3/h7-9H,4-6,15H2,1-3H3/p+1