[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C12H10BrN3O3S2 MolecularWeight: 388.2601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)COC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)COC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H10BrN3O3S2/c13-8-3-1-2-7(4-8)9(17)5-19-10(18)6-20-12-16-15-11(14)21-12/h1-4H,5-6H2,(H2,14,15)