4-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=CC=C4

InChI

InChI=1S/C17H15N3O2S/c23-17-19-18-16(9-12-4-2-1-3-5-12)20(17)10-13-6-7-14-15(8-13)22-11-21-14/h1-8H,9-11H2,(H,19,23)