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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)-2-pyridinamine IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-methylsulfonylphenyl)pyridin-2-amine Traditional Name: [3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-(3-mesylphenyl)amine Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C=CC=N2)C3=NC(=NN3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C=CC=N2)C3=NC(=NN3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O4S/c1-31(27,28)15-5-2-4-14(11-15)23-20-16(6-3-9-22-20)21-24-19(25-26-21)13-7-8-17-18(10-13)30-12-29-17/h2-11H,12H2,1H3,(H,22,23)(H,24,25,26)