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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c19-13-14-12(11-4-2-1-3-5-11)15-17(13)10-16-6-8-18-9-7-16/h1-5H,6-10H2,(H,14,15,19)/p+1