5-(3-bromophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione; morpholin-3-one

Systemtic Name: 5-(3-bromophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione; morpholin-3-one Openeye Name: 5-(3-bromophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione; morpholin-3-one CAS Name: 5-(3-bromophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione; 3-morpholinone IUPAC Name: 5-(3-bromophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione; morpholin-3-one Traditional Name: 5-(3-bromophenyl)-3-methylol-1,3,4-oxadiazole-2-thione; morpholin-3-one Formula: C13H14BrN3O4S MolecularWeight: 388.23696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(=O)N1.C1=CC(=CC(=C1)Br)C2=NN(C(=S)O2)CO

Isomeric SMILES

C1COCC(=O)N1.C1=CC(=CC(=C1)Br)C2=NN(C(=S)O2)CO

InChI

InChI=1S/C9H7BrN2O2S.C4H7NO2/c10-7-3-1-2-6(4-7)8-11-12(5-13)9(15)14-8;6-4-3-7-2-1-5-4/h1-4,13H,5H2;1-3H2,(H,5,6)