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

Systemtic Name: 4-(4-fluorophenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-fluorophenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-5-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-fluorophenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-fluorophenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H20FN4S+ MolecularWeight: 355.452303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4S/c20-16-8-10-17(11-9-16)24-18(15-6-2-1-3-7-15)21-23(19(24)25)14-22-12-4-5-13-22/h1-3,6-11H,4-5,12-14H2/p+1