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

Systemtic Name: ethyl 5-(4-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate CAS Name: 5-[(4-chlorophenyl)thio]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(4-chlorophenyl)thio]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C19H13ClF3N3O2S MolecularWeight: 439.83863

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3N3O2S/c1-2-28-18(27)15-17(29-14-8-6-13(20)7-9-14)24-16(26-25-15)11-4-3-5-12(10-11)19(21,22)23/h3-10H,2H2,1H3