N-(4-chloranyl-3-fluoranyl-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: N-(4-chloro-3-fluoro-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: N-(4-chloro-3-fluorophenyl)-3-[3-(1-imidazolyl)propyl]-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: N-(4-chloro-3-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: (4-chloro-3-fluoro-phenyl)-[3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amine Formula: C21H17ClFN5O2S MolecularWeight: 457.908383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=NC3=CC(=C(C=C3)Cl)F)N2CCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=NC3=CC(=C(C=C3)Cl)F)N2CCCN4C=CN=C4

InChI

InChI=1S/C21H17ClFN5O2S/c22-18-6-5-16(12-19(18)23)25-21-27(9-2-8-26-10-7-24-14-26)20(13-31-21)15-3-1-4-17(11-15)28(29)30/h1,3-7,10-14H,2,8-9H2