N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C21H10BrClN4O4S MolecularWeight: 529.7505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C21H10BrClN4O4S/c22-11-6-10(8-24-9-11)21-26-14-7-12(4-5-16(14)31-21)25-20(28)19-17(23)13-2-1-3-15(27(29)30)18(13)32-19/h1-9H,(H,25,28)