3-(4-fluorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-fluorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-fluorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-fluorophenyl)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-fluorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-fluorophenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C14H18FN4OS+ MolecularWeight: 309.382323

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1CCN2C(=NNC2=S)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4OS/c15-12-3-1-11(2-4-12)13-16-17-14(21)19(13)6-5-18-7-9-20-10-8-18/h1-4H,5-10H2,(H,17,21)/p+1