methyl 2-[[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C12H11BrN2O3S2 MolecularWeight: 375.26134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(S1)COC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CSC1=NN=C(S1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H11BrN2O3S2/c1-17-11(16)7-19-12-15-14-10(20-12)6-18-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3