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

Systemtic Name: 2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile CAS Name: 2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-(3-pyridinyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[4-[(2,6-dimethylbenzyl)amino]phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile Formula: C23H20N6 MolecularWeight: 380.4451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C23H20N6/c1-16-5-3-6-17(2)21(16)15-26-19-8-10-20(11-9-19)29-22(13-24)27-23(28-29)18-7-4-12-25-14-18/h3-12,14,26H,15H2,1-2H3