4-chloranyl-N-(3-nitro-5-pyridin-1-ium-2-ylsulfanyl-phenyl)benzamide

Systemtic Name: 4-chloranyl-N-(3-nitro-5-pyridin-1-ium-2-ylsulfanyl-phenyl)benzamide Openeye Name: 4-chloro-N-(3-nitro-5-pyridin-1-ium-2-ylsulfanyl-phenyl)benzamide CAS Name: 4-chloro-N-[3-nitro-5-(2-pyridin-1-iumylthio)phenyl]benzamide IUPAC Name: 4-chloro-N-(3-nitro-5-pyridin-1-ium-2-ylsulfanylphenyl)benzamide Traditional Name: 4-chloro-N-[3-nitro-5-(pyridin-1-ium-2-ylthio)phenyl]benzamide Formula: C18H13ClN3O3S+ MolecularWeight: 386.83212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O3S/c19-13-6-4-12(5-7-13)18(23)21-14-9-15(22(24)25)11-16(10-14)26-17-3-1-2-8-20-17/h1-11H,(H,21,23)/p+1