5-chloranyl-2-[2-methyl-4-nitro-3-(sulfanylmethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[2-methyl-4-nitro-3-(sulfanylmethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-chloro-2-[2-methyl-4-nitro-3-(sulfanylmethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-chloro-2-[3-(mercaptomethyl)-2-methyl-4-nitrophenyl]isoindole-1,3-dione IUPAC Name: 5-chloro-2-[2-methyl-4-nitro-3-(sulfanylmethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-chloro-2-[3-(mercaptomethyl)-2-methyl-4-nitro-phenyl]isoindoline-1,3-quinone Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CS)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1CS)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O4S/c1-8-12(7-24)14(19(22)23)5-4-13(8)18-15(20)10-3-2-9(17)6-11(10)16(18)21/h2-6,24H,7H2,1H3