1-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-pyrrolidin-1-yl-2,1,3-benzothiadiazol-4-yl)urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-pyrrolidin-1-yl-2,1,3-benzothiadiazol-4-yl)urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(5-pyrrolidin-1-yl-2,1,3-benzothiadiazol-4-yl)urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[5-(1-pyrrolidinyl)-2,1,3-benzothiadiazol-4-yl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(5-pyrrolidin-1-yl-2,1,3-benzothiadiazol-4-yl)urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(5-pyrrolidinopiazthiol-4-yl)urea Formula: C17H15ClFN5OS MolecularWeight: 391.850303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NSN=C3C=C2)NC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C3=NSN=C3C=C2)NC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H15ClFN5OS/c18-11-9-10(3-4-12(11)19)20-17(25)21-16-14(24-7-1-2-8-24)6-5-13-15(16)23-26-22-13/h3-6,9H,1-2,7-8H2,(H2,20,21,25)