N-[3-(4-bromanylphenoxy)-5-nitro-phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(4-bromanylphenoxy)-5-nitro-phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(4-bromophenoxy)-5-nitro-phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(4-bromophenoxy)-5-nitro-phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H12BrClN2O4S MolecularWeight: 503.75298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H12BrClN2O4S/c22-12-5-7-15(8-6-12)29-16-10-13(9-14(11-16)25(27)28)24-21(26)20-19(23)17-3-1-2-4-18(17)30-20/h1-11H,(H,24,26)