N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-12-2-5-14(6-3-12)28-9-8-20-17(23)11-21-18(24)15-7-4-13(22(26)27)10-16(15)19(21)25/h2-7,10H,8-9,11H2,1H3,(H,20,23)