ethyl 5-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate CAS Name: 5-(phenylthio)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate Traditional Name: 5-(phenylthio)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C19H14F3N3O2S MolecularWeight: 405.39357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C19H14F3N3O2S/c1-2-27-18(26)15-17(28-14-9-4-3-5-10-14)23-16(25-24-15)12-7-6-8-13(11-12)19(20,21)22/h3-11H,2H2,1H3