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

Systemtic Name: 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethyl-isoxazole Formula: C19H16BrN5OS MolecularWeight: 442.33224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C19H16BrN5OS/c1-12-17(13(2)26-24-12)11-27-19-23-22-18(14-4-3-9-21-10-14)25(19)16-7-5-15(20)6-8-16/h3-10H,11H2,1-2H3