1-[[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)phenyl]amino]butan-2-ol

Systemtic Name: 1-[[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)phenyl]amino]butan-2-ol Openeye Name: 1-[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)anilino]butan-2-ol CAS Name: 1-[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)anilino]-2-butanol IUPAC Name: 1-[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)anilino]butan-2-ol Traditional Name: 1-[2-(4-dimethylaminophenyl)-4-methylsulfinyl-3-(1,2,4-triazin-5-yl)anilino]butan-2-ol Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C(=C(C=C1)S(=O)C)C2=CN=NC=N2)C3=CC=C(C=C3)N(C)C)O

Isomeric SMILES

CCC(CNC1=C(C(=C(C=C1)S(=O)C)C2=CN=NC=N2)C3=CC=C(C=C3)N(C)C)O

InChI

InChI=1S/C22H27N5O2S/c1-5-17(28)12-23-18-10-11-20(30(4)29)22(19-13-25-26-14-24-19)21(18)15-6-8-16(9-7-15)27(2)3/h6-11,13-14,17,23,28H,5,12H2,1-4H3