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

Systemtic Name: 4-(4-chlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23ClN5S+ MolecularWeight: 400.94812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5S/c1-15-8-12-24(13-9-15)14-25-20(27)26(18-4-2-17(21)3-5-18)19(23-25)16-6-10-22-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3/p+1