2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenyl-acetonitrile CAS Name: 2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenylacetonitrile IUPAC Name: 2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenylacetonitrile Traditional Name: 2-[3,6-bis(4-chlorophenyl)-1,2,4-triazin-5-yl]-2-phenyl-acetonitrile Formula: C23H14Cl2N4 MolecularWeight: 417.29006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=C(N=NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=C(N=NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H14Cl2N4/c24-18-10-6-16(7-11-18)21-22(20(14-26)15-4-2-1-3-5-15)27-23(29-28-21)17-8-12-19(25)13-9-17/h1-13,20H