2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C24H18N4O2S2/c1-2-6-17(7-3-1)23-26-27-24(31-14-22-25-18-8-4-5-9-21(18)32-22)28(23)13-16-10-11-19-20(12-16)30-15-29-19/h1-12H,13-15H2