4-methyl-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-pyridin-4-yl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C13H18N5S+ MolecularWeight: 276.38052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=NC=C3

InChI

InChI=1S/C13H17N5S/c1-16-12(11-4-6-14-7-5-11)15-18(13(16)19)10-17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3/p+1