5-methyl-2-(2-methyl-4-nitro-phenyl)-4-sulfanyl-isoindole-1,3-dione

Systemtic Name: 5-methyl-2-(2-methyl-4-nitro-phenyl)-4-sulfanyl-isoindole-1,3-dione Openeye Name: 5-methyl-2-(2-methyl-4-nitro-phenyl)-4-sulfanyl-isoindoline-1,3-dione CAS Name: 4-mercapto-5-methyl-2-(2-methyl-4-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-methyl-2-(2-methyl-4-nitrophenyl)-4-sulfanylisoindole-1,3-dione Traditional Name: 4-mercapto-5-methyl-2-(2-methyl-4-nitro-phenyl)isoindoline-1,3-quinone Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])C)S

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])C)S

InChI

InChI=1S/C16H12N2O4S/c1-8-3-5-11-13(14(8)23)16(20)17(15(11)19)12-6-4-10(18(21)22)7-9(12)2/h3-7,23H,1-2H3