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

Systemtic Name: (3S)-3-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-amino-5-(3-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=C3)Br

Isomeric SMILES

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

InChI

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