2-[(4-chloranylphenoxy)methyl]-N-(4-fluoranyl-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-N-(4-fluoranyl-3-nitro-phenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-chlorophenoxy)methyl]-N-(4-fluoro-3-nitro-phenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-[(4-chlorophenoxy)methyl]-N-(4-fluoro-3-nitrophenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-(4-fluoro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[(4-chlorophenoxy)methyl]-N-(4-fluoro-3-nitro-phenyl)-4-methyl-thiazole-5-carboxamide Formula: C18H13ClFN3O4S MolecularWeight: 421.829923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClFN3O4S/c1-10-17(18(24)22-12-4-7-14(20)15(8-12)23(25)26)28-16(21-10)9-27-13-5-2-11(19)3-6-13/h2-8H,9H2,1H3,(H,22,24)