4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-methyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C14H20N5S+ MolecularWeight: 290.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)C3=CC=NC=C3

InChI

InChI=1S/C14H19N5S/c1-18-13(12-4-6-15-7-5-12)16-17-14(18)20-11-10-19-8-2-3-9-19/h4-7H,2-3,8-11H2,1H3/p+1