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

Systemtic Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-fluorophenyl)-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-fluorophenyl)-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H19FN5S+ MolecularWeight: 356.440363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN5S/c19-15-3-5-16(6-4-15)24-17(14-7-9-20-10-8-14)21-23(18(24)25)13-22-11-1-2-12-22/h3-10H,1-2,11-13H2/p+1