2-[4-(4-bromophenyl)sulfonylphenyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylphenyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-benzylsulfanyl-5-[4-(4-bromophenyl)sulfonylphenyl]-1,3,4-thiadiazole CAS Name: 2-[4-(4-bromophenyl)sulfonylphenyl]-5-(phenylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-benzylsulfanyl-5-[4-(4-bromophenyl)sulfonylphenyl]-1,3,4-thiadiazole Traditional Name: 2-(benzylthio)-5-(4-brosylphenyl)-1,3,4-thiadiazole Formula: C21H15BrN2O2S3 MolecularWeight: 503.455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O2S3/c22-17-8-12-19(13-9-17)29(25,26)18-10-6-16(7-11-18)20-23-24-21(28-20)27-14-15-4-2-1-3-5-15/h1-13H,14H2