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

Systemtic Name: 5-(3-fluorophenyl)-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-fluorophenyl)-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-fluorophenyl)-4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-fluorophenyl)-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-fluorophenyl)-4-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)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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