N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-ethoxy-3-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-2-26-18-8-7-14(11-17(18)22(24)25)19(23)21-9-10-27-13-16-6-4-3-5-15(16)12-20/h3-8,11H,2,9-10,13H2,1H3,(H,21,23)