2-[[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C13H12BrN3O3S3 MolecularWeight: 434.35168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)SCC(=O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)SCC(=O)N)Br

InChI

InChI=1S/C13H12BrN3O3S3/c1-20-10-3-2-7(4-8(10)14)9(18)5-21-12-16-17-13(23-12)22-6-11(15)19/h2-4H,5-6H2,1H3,(H2,15,19)