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

Systemtic Name: 5-(2-bromophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C13H16BrN4S+ MolecularWeight: 340.26194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C13H15BrN4S/c14-11-6-2-1-5-10(11)12-15-13(19)18(16-12)9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-9H2,(H,15,16,19)/p+1