1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(4-bromophenyl)-1,3-oxathiolan-2-yl]methyl]-1,2,4-triazole Formula: C12H12BrN3OS MolecularWeight: 326.21218

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CSC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C12H12BrN3OS/c13-11-3-1-10(2-4-11)12(17-5-6-18-12)7-16-9-14-8-15-16/h1-4,8-9H,5-7H2