5-bromanyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-bromo-benzofuran-2-carboxamide CAS Name: 5-bromo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-bromo-1-benzofuran-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-bromo-coumarilamide Formula: C18H12BrN3O2S2 MolecularWeight: 446.34078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C18H12BrN3O2S2/c19-13-6-7-14-12(8-13)9-15(24-14)16(23)20-17-21-22-18(26-17)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21,23)