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

Systemtic Name: 2-[4-[(2,6-dimethylphenyl)amino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[4-(2,6-dimethylanilino)phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile CAS Name: 2-[4-(2,6-dimethylanilino)phenyl]-5-(3-pyridinyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[4-(2,6-dimethylanilino)phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[4-(2,6-dimethylanilino)phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=CC=C(C=C2)N3C(=NC(=N3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C22H18N6/c1-15-5-3-6-16(2)21(15)25-18-8-10-19(11-9-18)28-20(13-23)26-22(27-28)17-7-4-12-24-14-17/h3-12,14,25H,1-2H3