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

Systemtic Name: 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C18H13BrN4OS MolecularWeight: 413.29102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN4OS/c19-14-6-4-5-13(11-14)17-20-21-18(25-12-15-9-10-24-22-15)23(17)16-7-2-1-3-8-16/h1-11H,12H2