N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)C#N)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)C#N)F)Cl

InChI

InChI=1S/C21H13ClFN5O/c1-12-2-5-15(10-17(12)22)28-26-19-7-4-14(9-20(19)27-28)25-21(29)16-6-3-13(11-24)8-18(16)23/h2-10H,1H3,(H,25,29)