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

Systemtic Name: N-(1,4-dioxan-2-ylmethyl)-3-[3-[(4-methylsulfonylphenyl)amino]-1H-1,2,4-triazol-5-yl]pyridin-2-amine Openeye Name: N-(1,4-dioxan-2-ylmethyl)-3-[3-(4-methylsulfonylanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine CAS Name: N-(1,4-dioxan-2-ylmethyl)-3-[3-(4-methylsulfonylanilino)-1H-1,2,4-triazol-5-yl]-2-pyridinamine IUPAC Name: N-(1,4-dioxan-2-ylmethyl)-3-[3-(4-methylsulfonylanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine Traditional Name: 1,4-dioxan-2-ylmethyl-[3-[3-(4-mesylanilino)-1H-1,2,4-triazol-5-yl]-2-pyridyl]amine Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NNC(=N2)C3=C(N=CC=C3)NCC4COCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NNC(=N2)C3=C(N=CC=C3)NCC4COCCO4

InChI

InChI=1S/C19H22N6O4S/c1-30(26,27)15-6-4-13(5-7-15)22-19-23-18(24-25-19)16-3-2-8-20-17(16)21-11-14-12-28-9-10-29-14/h2-8,14H,9-12H2,1H3,(H,20,21)(H2,22,23,24,25)