4-(2-methoxyethyl)-5-(3-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(m-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-5-(3-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyethyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(m-tolyl)-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C(=S)N2CCOC)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(=S)N2CCOC)C[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O2S/c1-14-4-3-5-15(12-14)16-18-21(13-19-6-10-23-11-7-19)17(24)20(16)8-9-22-2/h3-5,12H,6-11,13H2,1-2H3/p+1