N-[3-(4-fluorophenyl)sulfanylpropyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1F)SCCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O3S/c20-15-3-5-16(6-4-15)28-11-1-8-22-19(25)14-2-7-17(18(12-14)24(26)27)23-10-9-21-13-23/h2-7,9-10,12-13H,1,8,11H2,(H,22,25)