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

Systemtic Name: 5-methyl-4-(4-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-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(4-methylphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(4-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-(p-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=C(C=C3)C

Isomeric SMILES

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

InChI

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