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

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

CC1CCC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5S/c1-15-3-2-12-24(13-15)14-25-20(27)26(18-6-4-17(21)5-7-18)19(23-25)16-8-10-22-11-9-16/h4-11,15H,2-3,12-14H2,1H3/p+1/t15-/m0/s1