2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-(ethylthio)-1,3,4-thiadiazole IUPAC Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-(ethylthio)-1,3,4-thiadiazole Formula: C19H17BrN2O2S3 MolecularWeight: 481.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)SCC2=C3C(=CC(=C2)Br)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C19H17BrN2O2S3/c1-2-25-18-21-22-19(27-18)26-11-14-9-15(20)8-13-10-23-17(24-16(13)14)12-6-4-3-5-7-12/h3-9,17H,2,10-11H2,1H3/t17-/m0/s1