3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine

Systemtic Name: 3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Openeye Name: 3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)pyridin-2-amine CAS Name: 3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)-2-pyridinamine IUPAC Name: 3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Traditional Name: [3-[3-(4-mesylphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-(4-pyridylmethyl)amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C20H18N6O2S/c1-29(27,28)16-6-4-15(5-7-16)18-24-20(26-25-18)17-3-2-10-22-19(17)23-13-14-8-11-21-12-9-14/h2-12H,13H2,1H3,(H,22,23)(H,24,25,26)