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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine Traditional Name: [3-[3-(4-mesylphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-piperonyl-amine Formula: C22H19N5O4S MolecularWeight: 449.48236

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N5O4S/c1-32(28,29)16-7-5-15(6-8-16)20-25-22(27-26-20)17-3-2-10-23-21(17)24-12-14-4-9-18-19(11-14)31-13-30-18/h2-11H,12-13H2,1H3,(H,23,24)(H,25,26,27)