4-[3-(dimethylazaniumyl)propyl]-5-pyridin-4-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-(dimethylazaniumyl)propyl]-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-(dimethylammonio)propyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(dimethylammonio)propyl]-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-(dimethylazaniumyl)propyl]-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-(dimethylammonio)propyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C12H17N5S MolecularWeight: 263.36188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1[S-])C2=CC=NC=C2

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1[S-])C2=CC=NC=C2

InChI

InChI=1S/C12H17N5S/c1-16(2)8-3-9-17-11(14-15-12(17)18)10-4-6-13-7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,18)