2-(2-fluorophenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-[2-(imidazol-1-ylmethyl)benzyl]-5-nitro-benzamide Formula: C24H19FN4O3S MolecularWeight: 462.496063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F)CN4C=CN=C4

InChI

InChI=1S/C24H19FN4O3S/c25-21-7-3-4-8-23(21)33-22-10-9-19(29(31)32)13-20(22)24(30)27-14-17-5-1-2-6-18(17)15-28-12-11-26-16-28/h1-13,16H,14-15H2,(H,27,30)