4-methyl-5-(4-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide

Systemtic Name: 4-methyl-5-(4-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide Openeye Name: 4-methyl-5-(p-tolyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)isothiazole 1,1-dioxide CAS Name: 4-methyl-5-(4-methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]isothiazole 1,1-dioxide IUPAC Name: 4-methyl-5-(4-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide Traditional Name: 4-methyl-5-(p-tolyl)-3-[4-(2-pyrimidyl)piperazino]isothiazole 1,1-dioxide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NS2(=O)=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NS2(=O)=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H21N5O2S/c1-14-4-6-16(7-5-14)17-15(2)18(22-27(17,25)26)23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,10-13H2,1-2H3