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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-oxazole CAS Name: 4-[[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyloxazole IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole Traditional Name: 4-[[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-oxazole Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=COC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=COC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c1-18-8-12-20(13-9-18)24-28-29-26(30(24)23-14-10-19(2)11-15-23)32-17-22-16-31-25(27-22)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3