N-[3,4-bis(fluoranyl)phenyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(3,4-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(3,4-difluorophenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(3,4-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(3,4-difluorophenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C15H10F2N6O3S MolecularWeight: 392.340106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C15H10F2N6O3S/c1-22-15(19-20-21-22)27-13-5-3-9(23(25)26)7-10(13)14(24)18-8-2-4-11(16)12(17)6-8/h2-7H,1H3,(H,18,24)