(3S)-3-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: (3S)-3-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1COC(=O)[C@H]1SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C12H11BrN4O2S/c13-8-4-2-1-3-7(8)10-15-16-12(17(10)14)20-9-5-6-19-11(9)18/h1-4,9H,5-6,14H2/t9-/m0/s1