3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethylcarbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-[(2-chloro-6-fluorophenyl)methylthio]ethylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[2-[(2-chloro-6-fluoro-benzyl)thio]ethylcarbamoyl]pyrazinoic acid Formula: C15H13ClFN3O3S MolecularWeight: 369.798423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSCCNC(=O)C2=NC=CN=C2C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSCCNC(=O)C2=NC=CN=C2C(=O)O)F

InChI

InChI=1S/C15H13ClFN3O3S/c16-10-2-1-3-11(17)9(10)8-24-7-6-20-14(21)12-13(15(22)23)19-5-4-18-12/h1-5H,6-8H2,(H,20,21)(H,22,23)