5-[[7-(4-chlorophenyl)-8-[4-(methoxymethyl)phenyl]-3-oxidanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-2-carbonitrile

Systemtic Name: 5-[[7-(4-chlorophenyl)-8-[4-(methoxymethyl)phenyl]-3-oxidanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-2-carbonitrile Openeye Name: 5-[[7-(4-chlorophenyl)-8-[4-(methoxymethyl)phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-2-carbonitrile CAS Name: 5-[[7-(4-chlorophenyl)-8-[4-(methoxymethyl)phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-2-pyridinecarbonitrile IUPAC Name: 5-[[7-(4-chlorophenyl)-8-[4-(methoxymethyl)phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-2-carbonitrile Traditional Name: 5-[[7-(4-chlorophenyl)-3-keto-8-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]picolinonitrile Formula: C27H20ClN5O2 MolecularWeight: 481.933

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C2=C(C=CN3C2=NN(C3=O)CC4=CN=C(C=C4)C#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

COCC1=CC=C(C=C1)C2=C(C=CN3C2=NN(C3=O)CC4=CN=C(C=C4)C#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClN5O2/c1-35-17-18-2-5-21(6-3-18)25-24(20-7-9-22(28)10-8-20)12-13-32-26(25)31-33(27(32)34)16-19-4-11-23(14-29)30-15-19/h2-13,15H,16-17H2,1H3