N-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C20H15ClF3N3OS MolecularWeight: 437.86581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H15ClF3N3OS/c21-15-7-6-14(20(22,23)24)10-17(15)27-18(28)8-9-29-19-11-16(25-12-26-19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,27,28)