N-[2-bromanyl-4,5-bis(fluoranyl)phenyl]-3-methyl-4-nitro-benzenecarbothioamide

Systemtic Name: N-[2-bromanyl-4,5-bis(fluoranyl)phenyl]-3-methyl-4-nitro-benzenecarbothioamide Openeye Name: N-(2-bromo-4,5-difluoro-phenyl)-3-methyl-4-nitro-benzenecarbothioamide CAS Name: N-(2-bromo-4,5-difluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide IUPAC Name: N-(2-bromo-4,5-difluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide Traditional Name: N-(2-bromo-4,5-difluoro-phenyl)-3-methyl-4-nitro-thiobenzamide Formula: C14H9BrF2N2O2S MolecularWeight: 387.199266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=S)NC2=CC(=C(C=C2Br)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=S)NC2=CC(=C(C=C2Br)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9BrF2N2O2S/c1-7-4-8(2-3-13(7)19(20)21)14(22)18-12-6-11(17)10(16)5-9(12)15/h2-6H,1H3,(H,18,22)