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

Systemtic Name: 2-[4-[(2-chloranyl-6-methyl-phenyl)amino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Openeye Name: 2-[4-(2-chloro-6-methyl-anilino)phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile CAS Name: 2-[4-(2-chloro-6-methylanilino)phenyl]-5-(3-pyridinyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 2-[4-(2-chloro-6-methylanilino)phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile Traditional Name: 2-[4-(2-chloro-6-methyl-anilino)phenyl]-5-(3-pyridyl)-1,2,4-triazole-3-carbonitrile Formula: C21H15ClN6 MolecularWeight: 386.837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6/c1-14-4-2-6-18(22)20(14)25-16-7-9-17(10-8-16)28-19(12-23)26-21(27-28)15-5-3-11-24-13-15/h2-11,13,25H,1H3