5-[(4-chlorophenyl)methylsulfanyl]-6-nitro-isoindole-1,3-dione

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-6-nitro-isoindole-1,3-dione Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-6-nitro-isoindoline-1,3-dione CAS Name: 5-[(4-chlorophenyl)methylthio]-6-nitroisoindole-1,3-dione IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-6-nitroisoindole-1,3-dione Traditional Name: 5-[(4-chlorobenzyl)thio]-6-nitro-isoindoline-1,3-quinone Formula: C15H9ClN2O4S MolecularWeight: 348.76096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C3C(=C2)C(=O)NC3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C3C(=C2)C(=O)NC3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H9ClN2O4S/c16-9-3-1-8(2-4-9)7-23-13-6-11-10(5-12(13)18(21)22)14(19)17-15(11)20/h1-6H,7H2,(H,17,19,20)