3-(4-tert-butylphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3

InChI

InChI=1S/C19H28N4OS/c1-19(2,3)16-7-5-15(6-8-16)17-20-21-18(25)23(17)10-4-9-22-11-13-24-14-12-22/h5-8H,4,9-14H2,1-3H3,(H,21,25)/p+1