N-[3,5-bis(fluoranyl)phenyl]-3-methyl-4-nitro-benzenecarbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-3-methyl-4-nitro-benzenecarbothioamide Openeye Name: N-(3,5-difluorophenyl)-3-methyl-4-nitro-benzenecarbothioamide CAS Name: N-(3,5-difluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide IUPAC Name: N-(3,5-difluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide Traditional Name: N-(3,5-difluorophenyl)-3-methyl-4-nitro-thiobenzamide Formula: C14H10F2N2O2S MolecularWeight: 308.303206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10F2N2O2S/c1-8-4-9(2-3-13(8)18(19)20)14(21)17-12-6-10(15)5-11(16)7-12/h2-7H,1H3,(H,17,21)