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

Systemtic Name: ethyl 3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 3-(2-thienyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate CAS Name: 3-thiophen-2-yl-5-[[3-(trifluoromethyl)phenyl]thio]-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine-6-carboxylate Traditional Name: 3-(2-thienyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C17H12F3N3O2S2 MolecularWeight: 411.42129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2S2/c1-2-25-16(24)13-15(21-14(23-22-13)12-7-4-8-26-12)27-11-6-3-5-10(9-11)17(18,19)20/h3-9H,2H2,1H3