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

Systemtic Name: 5-(2-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-(4-morpholin-4-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C13H16BrN4OS+ MolecularWeight: 356.26134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C13H15BrN4OS/c14-11-4-2-1-3-10(11)12-15-13(20)18(16-12)9-17-5-7-19-8-6-17/h1-4H,5-9H2,(H,15,16,20)/p+1