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

Systemtic Name: 5-(4-tert-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4OS/c1-23(2,3)19-11-9-18(10-12-19)21-24-26(17-25-13-15-28-16-14-25)22(29)27(21)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3/p+1