2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H18FN3O4S/c1-11-3-6-15(12(2)7-11)21-18(24)10-27-9-17(23)20-13-4-5-14(19)16(8-13)22(25)26/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,24)