5-(3,4-dimethylphenyl)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C

InChI

InChI=1S/C20H16FN3O4S/c1-11-3-4-13(9-12(11)2)17-7-8-18(28-17)19(25)23-20(29)22-16-10-14(24(26)27)5-6-15(16)21/h3-10H,1-2H3,(H2,22,23,25,29)