5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4O2S/c1-14(2)12-21-17(15-4-6-16(23-3)7-5-15)19-22(18(21)25)13-20-8-10-24-11-9-20/h4-7,14H,8-13H2,1-3H3/p+1