1-[[6-(4-ethoxyphenyl)-5-(4-methylsulfinylphenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol

Systemtic Name: 1-[[6-(4-ethoxyphenyl)-5-(4-methylsulfinylphenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol Openeye Name: 1-[[6-(4-ethoxyphenyl)-5-(4-methylsulfinylphenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol CAS Name: 1-[[6-(4-ethoxyphenyl)-5-(4-methylsulfinylphenyl)-1,2,4-triazin-3-yl]amino]-2-butanol IUPAC Name: 1-[[6-(4-ethoxyphenyl)-5-(4-methylsulfinylphenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol Traditional Name: 1-[[5-(4-methylsulfinylphenyl)-6-p-phenetyl-1,2,4-triazin-3-yl]amino]butan-2-ol Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NC(=C(N=N1)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)S(=O)C)O

Isomeric SMILES

CCC(CNC1=NC(=C(N=N1)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)S(=O)C)O

InChI

InChI=1S/C22H26N4O3S/c1-4-17(27)14-23-22-24-20(15-8-12-19(13-9-15)30(3)28)21(25-26-22)16-6-10-18(11-7-16)29-5-2/h6-13,17,27H,4-5,14H2,1-3H3,(H,23,24,26)