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

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-methyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C14H18FN4S+ MolecularWeight: 293.382923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN4S/c1-17-13(11-4-6-12(15)7-5-11)16-19(14(17)20)10-18-8-2-3-9-18/h4-7H,2-3,8-10H2,1H3/p+1