5-(4-tert-butylphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C18H26N4OS/c1-18(2,3)15-7-5-14(6-8-15)16-19-22(17(24)20(16)4)13-21-9-11-23-12-10-21/h5-8H,9-13H2,1-4H3/p+1