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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-oxazole CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenyloxazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Traditional Name: 2-phenyl-4-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]oxazole Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=COC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=COC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H20N4O3S/c1-3-7-19(8-4-1)24-28-29-26(30(24)14-18-11-12-22-23(13-18)33-17-32-22)34-16-21-15-31-25(27-21)20-9-5-2-6-10-20/h1-13,15H,14,16-17H2