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

Systemtic Name: 4-(4-chlorophenyl)-2-[(4-oxidanylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-[(4-hydroxy-1-piperidyl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-[(4-hydroxy-1-piperidinyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-[(4-hydroxypiperidin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-[(4-hydroxypiperidino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5OS/c20-15-1-3-16(4-2-15)25-18(14-5-9-21-10-6-14)22-24(19(25)27)13-23-11-7-17(26)8-12-23/h1-6,9-10,17,26H,7-8,11-13H2