3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[5-[4-(2-pyrimidyl)piperazino]sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole Formula: C16H14F3N5O3S2 MolecularWeight: 445.43927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)C4=NOC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)C4=NOC(=C4)C(F)(F)F

InChI

InChI=1S/C16H14F3N5O3S2/c17-16(18,19)13-10-11(22-27-13)12-2-3-14(28-12)29(25,26)24-8-6-23(7-9-24)15-20-4-1-5-21-15/h1-5,10H,6-9H2