3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

Systemtic Name: 3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol Openeye Name: 3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol CAS Name: 3-[[4-[(3-methoxyphenyl)thio]-2-pyrimidinyl]amino]-5-(trifluoromethyl)phenol IUPAC Name: 3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol Traditional Name: 3-[[4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)O

InChI

InChI=1S/C18H14F3N3O2S/c1-26-14-3-2-4-15(10-14)27-16-5-6-22-17(24-16)23-12-7-11(18(19,20)21)8-13(25)9-12/h2-10,25H,1H3,(H,22,23,24)