6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-benzofuran-2-carboxamide CAS Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-coumarilamide Formula: C16H16BrN3O2S2 MolecularWeight: 426.35114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=C(C3=C(O2)C=C(C=C3)Br)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=C(C3=C(O2)C=C(C=C3)Br)C

InChI

InChI=1S/C16H16BrN3O2S2/c1-3-4-7-23-16-20-19-15(24-16)18-14(21)13-9(2)11-6-5-10(17)8-12(11)22-13/h5-6,8H,3-4,7H2,1-2H3,(H,18,19,21)