5-(2-bromophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-bromophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-(1-piperidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C14H18BrN4S+ MolecularWeight: 354.28852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C14H17BrN4S/c15-12-7-3-2-6-11(12)13-16-14(20)19(17-13)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2,(H,16,17,20)/p+1