3-chloranyl-6-nitro-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-nitro-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-nitro-N-[3-nitro-5-(2-pyridinylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-nitro-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-nitro-N-[3-nitro-5-(2-pyridylthio)phenyl]benzothiophene-2-carboxamide Formula: C20H11ClN4O5S2 MolecularWeight: 486.90814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H11ClN4O5S2/c21-18-15-5-4-12(24(27)28)10-16(15)32-19(18)20(26)23-11-7-13(25(29)30)9-14(8-11)31-17-3-1-2-6-22-17/h1-10H,(H,23,26)