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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-oxidanylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-hydroxypiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-[(4-hydroxypiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1O)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H22N4O3S/c26-17-8-10-23(11-9-17)13-24-21(29)25(16-4-2-1-3-5-16)20(22-24)15-6-7-18-19(12-15)28-14-27-18/h1-7,12,17,26H,8-11,13-14H2