N-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-[2-(methylthio)pyrimidin-4-yl]thiophene-2-sulfonamide Formula: C17H11F6N3O2S3 MolecularWeight: 499.473559

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H11F6N3O2S3/c1-29-15-24-5-4-12(25-15)13-2-3-14(30-13)31(27,28)26-11-7-9(16(18,19)20)6-10(8-11)17(21,22)23/h2-8,26H,1H3