2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c23-17(20-8-9-28-12-13-4-2-1-3-5-13)11-21-18(24)15-7-6-14(22(26)27)10-16(15)19(21)25/h1-7,10H,8-9,11-12H2,(H,20,23)