S-(4-bromophenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbothioate

Systemtic Name: S-(4-bromophenyl) 5-chloranyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbothioate Openeye Name: S-(4-bromophenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbothioate CAS Name: 5-chloro-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarbothioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbothioate Traditional Name: 5-chloro-2-[(2-fluorobenzyl)thio]pyrimidine-4-carbothioic acid S-(4-bromophenyl) ester Formula: C18H11BrClFN2OS2 MolecularWeight: 469.778143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)C(=O)SC3=CC=C(C=C3)Br)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)C(=O)SC3=CC=C(C=C3)Br)Cl)F

InChI

InChI=1S/C18H11BrClFN2OS2/c19-12-5-7-13(8-6-12)26-17(24)16-14(20)9-22-18(23-16)25-10-11-3-1-2-4-15(11)21/h1-9H,10H2