5-bromanyl-2-chloranyl-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C20H12BrClFN5OS MolecularWeight: 504.762583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)F

Isomeric SMILES

C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)F

InChI

InChI=1S/C20H12BrClFN5OS/c21-11-1-7-16(22)15(9-11)19(29)25-20(30)24-13-4-8-17-18(10-13)27-28(26-17)14-5-2-12(23)3-6-14/h1-10H,(H2,24,25,29,30)