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

Systemtic Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-isoxazole Formula: C13H11BrN4OS MolecularWeight: 351.22164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=NO1)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C13H11BrN4OS/c1-8-6-9(18-19-8)7-20-13-15-12(16-17-13)10-4-2-3-5-11(10)14/h2-6H,7H2,1H3,(H,15,16,17)