dimethyl-[3-[3-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[3-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Openeye Name: 3-[3-benzylsulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[3-(phenylmethylthio)-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]ammonium IUPAC Name: 3-(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)propyl-dimethylazanium Traditional Name: 3-[3-(benzylthio)-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C19H24N5S+ MolecularWeight: 354.49236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H23N5S/c1-23(2)13-6-14-24-18(17-9-11-20-12-10-17)21-22-19(24)25-15-16-7-4-3-5-8-16/h3-5,7-12H,6,13-15H2,1-2H3/p+1