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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H20N4O3S/c1-17-21(27-25(33-17)18-8-4-2-5-9-18)15-34-26-29-28-24(30(26)20-10-6-3-7-11-20)19-12-13-22-23(14-19)32-16-31-22/h2-14H,15-16H2,1H3