1-(4-bromophenyl)-2-[[4-(3-methylsulfanyl-2-oxidanyl-propyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[4-(3-methylsulfanyl-2-oxidanyl-propyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-(2-hydroxy-3-methylsulfanyl-propyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-[2-hydroxy-3-(methylthio)propyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-(2-hydroxy-3-methylsulfanylpropyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-[2-hydroxy-3-(methylthio)propyl]-5-thioxo-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H15BrN2O2S4 MolecularWeight: 451.4451

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CN1C(=S)SC(=N1)SCC(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CSCC(CN1C(=S)SC(=N1)SCC(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H15BrN2O2S4/c1-21-7-11(18)6-17-14(20)23-13(16-17)22-8-12(19)9-2-4-10(15)5-3-9/h2-5,11,18H,6-8H2,1H3