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

Systemtic Name: 4-(2,4-dimethylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,4-dimethylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,4-dimethylphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,4-dimethylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,4-dimethylphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-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)C3=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

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