N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-fluoranyl-4-methyl-5-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-fluoranyl-4-methyl-5-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-fluoro-4-methyl-5-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-fluoro-4-methyl-5-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-fluoro-4-methyl-5-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-fluoro-4-methyl-5-nitro-benzamide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O3S/c1-12-16(19)8-15(9-17(12)22(24)25)18(23)21-6-7-26-11-14-5-3-2-4-13(14)10-20/h2-5,8-9H,6-7,11H2,1H3,(H,21,23)