S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 5-bromanyl-2-oxidanyl-benzenecarbothioate

Systemtic Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 5-bromanyl-2-oxidanyl-benzenecarbothioate Openeye Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 5-bromo-2-hydroxy-benzenecarbothioate CAS Name: 5-bromo-2-hydroxybenzenecarbothioic acid S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] 5-bromo-2-hydroxybenzenecarbothioate Traditional Name: 5-bromo-2-hydroxy-thiobenzoic acid S-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O4S/c1-22-11-4-2-3-9(7-11)14-18-19-16(23-14)24-15(21)12-8-10(17)5-6-13(12)20/h2-8,20H,1H3