5-(4-bromophenyl)sulfonyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)sulfonyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)sulfonyl-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)sulfonyl-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)sulfonyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide Traditional Name: 5-brosyl-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-furamide Formula: C21H16BrN3O4S3 MolecularWeight: 550.46844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O4S3/c1-13-2-4-14(5-3-13)12-30-21-25-24-20(31-21)23-19(26)17-10-11-18(29-17)32(27,28)16-8-6-15(22)7-9-16/h2-11H,12H2,1H3,(H,23,24,26)