S-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl] 4-bromanylbenzenecarbothioate

Systemtic Name: S-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl] 4-bromanylbenzenecarbothioate Openeye Name: S-(5-benzyl-1,3,4-oxadiazol-2-yl) 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-(5-benzyl-1,3,4-oxadiazol-2-yl) 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-(5-benzyl-1,3,4-oxadiazol-2-yl) ester Formula: C16H11BrN2O2S MolecularWeight: 375.23974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2O2S/c17-13-8-6-12(7-9-13)15(20)22-16-19-18-14(21-16)10-11-4-2-1-3-5-11/h1-9H,10H2