2-chloranyl-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H17ClFN5OS MolecularWeight: 453.919683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN5OS/c1-2-13-3-7-16(8-4-13)29-27-19-10-6-15(12-20(19)28-29)25-22(31)26-21(30)17-9-5-14(24)11-18(17)23/h3-12H,2H2,1H3,(H2,25,26,30,31)