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

Systemtic Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-[(4-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(4-chlorobenzyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C19H23ClN5S+ MolecularWeight: 388.93742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5S/c1-24(2)12-3-13-25-18(16-8-10-21-11-9-16)22-23-19(25)26-14-15-4-6-17(20)7-5-15/h4-11H,3,12-14H2,1-2H3/p+1