4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-(piperidinomethyl)-4-piperonyl-1,2,4-triazole-3-thione Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2S/c29-22-25(14-17-9-10-19-20(13-17)28-16-27-19)21(18-7-3-1-4-8-18)23-26(22)15-24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14-16H2