3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propylazanium

Systemtic Name: 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propylazanium Openeye Name: 3-[5-methylsulfanyl-4-(3-pyridyl)-1,2,4-triazol-3-yl]propylammonium CAS Name: 3-[5-(methylthio)-4-(3-pyridinyl)-1,2,4-triazol-3-yl]propylammonium IUPAC Name: 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propylazanium Traditional Name: 3-[5-(methylthio)-4-(3-pyridyl)-1,2,4-triazol-3-yl]propylammonium Formula: C11H16N5S+ MolecularWeight: 250.34324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CN=CC=C2)CCC[NH3+]

Isomeric SMILES

CSC1=NN=C(N1C2=CN=CC=C2)CCC[NH3+]

InChI

InChI=1S/C11H15N5S/c1-17-11-15-14-10(5-2-6-12)16(11)9-4-3-7-13-8-9/h3-4,7-8H,2,5-6,12H2,1H3/p+1