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

Systemtic Name: 3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C21H20N4OS/c1-3-25-20(18-12-8-7-9-15(18)2)22-23-21(25)27-14-17-13-19(26-24-17)16-10-5-4-6-11-16/h4-13H,3,14H2,1-2H3