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

Systemtic Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-bromanylbenzenecarbothioate Openeye Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(O2)SC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2O3S/c1-21-13-4-2-3-11(9-13)14-18-19-16(22-14)23-15(20)10-5-7-12(17)8-6-10/h2-9H,1H3