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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H15ClFN5O2S MolecularWeight: 455.892503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN5O2S/c1-30-15-6-4-14(5-7-15)28-26-18-9-3-13(11-19(18)27-28)24-21(31)25-20(29)16-8-2-12(23)10-17(16)22/h2-11H,1H3,(H2,24,25,29,31)