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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-oxazole CAS Name: 4-[[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-2-phenyloxazole IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Traditional Name: 4-[[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-oxazole Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=COC(=N3)C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=COC(=N3)C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C25H21N5OS/c1-17-8-9-22(14-18(17)2)30-23(19-10-12-26-13-11-19)28-29-25(30)32-16-21-15-31-24(27-21)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3