3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-4-hydroxy-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromophenyl)-3-hydroxy-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-pyrrolin-2-one Formula: C29H20BrN3O4S2 MolecularWeight: 618.5208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=CC=C6)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=CC=C6)Br

InChI

InChI=1S/C29H20BrN3O4S2/c1-16-9-11-17(12-10-16)15-38-29-32-31-28(39-29)33-24(19-6-4-7-20(30)13-19)23(26(35)27(33)36)25(34)22-14-18-5-2-3-8-21(18)37-22/h2-14,24,35H,15H2,1H3