2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methylamino]phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]-5-(3-pyridinyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[4-[(2-chloro-6-fluoro-benzyl)amino]phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile Formula: C21H14ClFN6 MolecularWeight: 404.827463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N)F

InChI

InChI=1S/C21H14ClFN6/c22-18-4-1-5-19(23)17(18)13-26-15-6-8-16(9-7-15)29-20(11-24)27-21(28-29)14-3-2-10-25-12-14/h1-10,12,26H,13H2