N-[3,5-bis(fluoranyl)phenyl]-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(3,5-difluorophenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(3,5-difluorophenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(3,5-difluorophenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N-(3,5-difluorophenyl)-3-nitro-4-(p-anisylthio)benzamide Formula: C21H16F2N2O4S MolecularWeight: 430.424546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F2N2O4S/c1-29-18-5-2-13(3-6-18)12-30-20-7-4-14(8-19(20)25(27)28)21(26)24-17-10-15(22)9-16(23)11-17/h2-11H,12H2,1H3,(H,24,26)