2-(4-chlorophenyl)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]ethanenitrile

Systemtic Name: 2-(4-chlorophenyl)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]ethanenitrile Openeye Name: 2-(4-chlorophenyl)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]acetonitrile CAS Name: 2-(4-chlorophenyl)-2-[3-[(2-chlorophenyl)methyl]-5-methyl-7-triazolo[4,5-d]pyrimidinyl]acetonitrile IUPAC Name: 2-(4-chlorophenyl)-2-[3-[(2-chlorophenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-yl]acetonitrile Traditional Name: 2-[3-(2-chlorobenzyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-2-(4-chlorophenyl)acetonitrile Formula: C20H14Cl2N6 MolecularWeight: 409.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(N=N2)CC3=CC=CC=C3Cl)C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=C2C(=N1)N(N=N2)CC3=CC=CC=C3Cl)C(C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14Cl2N6/c1-12-24-18(16(10-23)13-6-8-15(21)9-7-13)19-20(25-12)28(27-26-19)11-14-4-2-3-5-17(14)22/h2-9,16H,11H2,1H3