5-[(4-tert-butylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-tert-butylphenoxy)methyl]-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C24H30N4O2S/c1-24(2,3)19-9-11-21(12-10-19)30-17-22-25-27(18-26-13-15-29-16-14-26)23(31)28(22)20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3/p+1