4-cyclopropyl-5-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H22FN4S+ MolecularWeight: 333.446783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C17H21FN4S/c18-15-7-3-2-6-14(15)16-19-21(12-20-10-4-1-5-11-20)17(23)22(16)13-8-9-13/h2-3,6-7,13H,1,4-5,8-12H2/p+1