4-phenyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide

Systemtic Name: 4-phenyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide Openeye Name: 4-phenyl-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide CAS Name: 4-phenyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide IUPAC Name: 4-phenyl-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide Traditional Name: 4-phenyl-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide Formula: C18H12F3N3OS MolecularWeight: 375.36759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3OS/c19-18(20,21)12-7-4-8-13(9-12)22-16(25)15-10-14(23-17(26)24-15)11-5-2-1-3-6-11/h1-10H,(H,22,25)(H,23,24,26)