6-bromanyl-3-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 6-bromanyl-3-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 6-bromo-3-methyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzofuran-2-carboxamide CAS Name: 6-bromo-3-methyl-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 6-bromo-3-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 6-bromo-3-methyl-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]coumarilamide Formula: C20H16BrN3O2S2 MolecularWeight: 474.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O2S2/c1-11-4-3-5-13(8-11)10-27-20-24-23-19(28-20)22-18(25)17-12(2)15-7-6-14(21)9-16(15)26-17/h3-9H,10H2,1-2H3,(H,22,23,25)