2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(ethylthio)-1,3,4-thiadiazole IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(ethylthio)-1,3,4-thiadiazole Formula: C13H15BrN2O2S3 MolecularWeight: 407.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCSC1=NN=C(S1)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C13H15BrN2O2S3/c1-4-19-12-15-16-13(21-12)20-7-8-5-10(17-2)11(18-3)6-9(8)14/h5-6H,4,7H2,1-3H3