2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide

Systemtic Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide Openeye Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide CAS Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide IUPAC Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide Traditional Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-oxathiolane 3,3-dioxide Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C(O1)(CN2C=NC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CS(=O)(=O)C(O1)(CN2C=NC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C12H12BrN3O3S/c13-11-3-1-10(2-4-11)12(7-16-9-14-8-15-16)19-5-6-20(12,17)18/h1-4,8-9H,5-7H2