ethyl 5-(3-chlorophenyl)sulfanyl-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-(3-chlorophenyl)sulfanyl-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-(3-chlorophenyl)sulfanyl-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylate CAS Name: 5-[(3-chlorophenyl)thio]-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chlorophenyl)sulfanyl-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(3-chlorophenyl)thio]-3-(3-fluorophenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C18H13ClFN3O2S MolecularWeight: 389.831123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClFN3O2S/c1-2-25-18(24)15-17(26-14-8-4-6-12(19)10-14)21-16(23-22-15)11-5-3-7-13(20)9-11/h3-10H,2H2,1H3