N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3,5-dinitro-benzamide Formula: C15H12ClN3O5S MolecularWeight: 381.79088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O5S/c16-11-1-3-14(4-2-11)25-6-5-17-15(20)10-7-12(18(21)22)9-13(8-10)19(23)24/h1-4,7-9H,5-6H2,(H,17,20)