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

Systemtic Name: 3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine Openeye Name: 3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine CAS Name: 3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)-2-pyridinamine IUPAC Name: 3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine Traditional Name: (3-mesylphenyl)-[3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]amine Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C21H19N5O3S/c1-29-16-8-3-6-14(12-16)19-24-21(26-25-19)18-10-5-11-22-20(18)23-15-7-4-9-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,22,23)(H,24,25,26)