2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-[4-(methylthio)benzyl]amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-19(10-12-6-8-13(26-2)9-7-12)11-20-17(22)14-4-3-5-15(21(24)25)16(14)18(20)23/h3-9H,10-11H2,1-2H3