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

Systemtic Name: 5-(4-ethylphenyl)-2-[(4-oxidanylpiperidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-1-piperidyl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[(4-hydroxy-1-piperidinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(4-hydroxypiperidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[(4-hydroxypiperidino)methyl]-1H-1,2,4-triazole-3-thione Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)O

InChI

InChI=1S/C16H22N4OS/c1-2-12-3-5-13(6-4-12)15-17-16(22)20(18-15)11-19-9-7-14(21)8-10-19/h3-6,14,21H,2,7-11H2,1H3,(H,17,18,22)