N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4O3S/c20-16-4-2-1-3-15(16)12-28-10-8-22-19(25)14-5-6-17(18(11-14)24(26)27)23-9-7-21-13-23/h1-7,9,11,13H,8,10,12H2,(H,22,25)