2-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide

Systemtic Name: 2-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide Openeye Name: 2-amino-N-(3-chloro-4-fluoro-phenyl)-4-phenyl-thiazol-3-ium-5-carboxamide CAS Name: 2-amino-N-(3-chloro-4-fluorophenyl)-4-phenyl-5-thiazol-3-iumcarboxamide IUPAC Name: 2-amino-N-(3-chloro-4-fluorophenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide Traditional Name: 2-amino-N-(3-chloro-4-fluoro-phenyl)-4-phenyl-thiazol-3-ium-5-carboxamide Formula: C16H12ClFN3OS+ MolecularWeight: 348.802383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=[NH+]2)N)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=[NH+]2)N)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H11ClFN3OS/c17-11-8-10(6-7-12(11)18)20-15(22)14-13(21-16(19)23-14)9-4-2-1-3-5-9/h1-8H,(H2,19,21)(H,20,22)/p+1