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

Systemtic Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N4O2S/c1-13(2)21-16(14-4-6-15(22-3)7-5-14)18-20(17(21)24)12-19-8-10-23-11-9-19/h4-7,13H,8-12H2,1-3H3/p+1