N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C16H15ClF3N3OS MolecularWeight: 389.82301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC=NC(=C2)C

InChI

InChI=1S/C16H15ClF3N3OS/c1-3-13(25-14-6-9(2)21-8-22-14)15(24)23-12-7-10(16(18,19)20)4-5-11(12)17/h4-8,13H,3H2,1-2H3,(H,23,24)