4-ethyl-6-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-3-carbonitrile

Systemtic Name: 4-ethyl-6-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-3-carbonitrile Openeye Name: 4-ethyl-6-(4-methylsulfonylphenyl)-2-(2-pyridylmethylamino)pyridine-3-carbonitrile CAS Name: 4-ethyl-6-(4-methylsulfonylphenyl)-2-(2-pyridinylmethylamino)-3-pyridinecarbonitrile IUPAC Name: 4-ethyl-6-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-3-carbonitrile Traditional Name: 4-ethyl-6-(4-mesylphenyl)-2-(2-pyridylmethylamino)nicotinonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=C1C#N)NCC2=CC=CC=N2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=NC(=C1C#N)NCC2=CC=CC=N2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20N4O2S/c1-3-15-12-20(16-7-9-18(10-8-16)28(2,26)27)25-21(19(15)13-22)24-14-17-6-4-5-11-23-17/h4-12H,3,14H2,1-2H3,(H,24,25)