5-methyl-4-(3-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-4-(3-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(3-methylphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(3-methylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C17H24N4S/c1-13-7-9-19(10-8-13)12-20-17(22)21(15(3)18-20)16-6-4-5-14(2)11-16/h4-6,11,13H,7-10,12H2,1-3H3/p+1