N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide Formula: C20H21BrN4O3S3 MolecularWeight: 541.50474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O3S3/c1-3-25(4-2)31(27,28)17-11-7-15(8-12-17)18(26)22-19-23-24-20(30-19)29-13-14-5-9-16(21)10-6-14/h5-12H,3-4,13H2,1-2H3,(H,22,23,26)