2-[2-(4-chlorophenyl)sulfanylethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O4S/c17-10-4-6-11(7-5-10)24-9-8-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2