S-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) 4-bromanylbenzenecarbothioate

Systemtic Name: S-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) 4-bromanylbenzenecarbothioate Openeye Name: S-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl] 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl) 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl] ester Formula: C14H8BrN3O2S MolecularWeight: 362.20122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H8BrN3O2S/c15-11-5-3-9(4-6-11)13(19)21-14-18-17-12(20-14)10-2-1-7-16-8-10/h1-8H