N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-bromanyl-2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-bromanyl-2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(1,1-dioxo-3-thiolanyl)-2-(ethylthio)-N-[(4-fluorophenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(1,1-diketothiolan-3-yl)-2-(ethylthio)-N-(4-fluorobenzyl)pyrimidine-4-carboxamide Formula: C18H19BrFN3O3S2 MolecularWeight: 488.394163

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)Br

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)Br

InChI

InChI=1S/C18H19BrFN3O3S2/c1-2-27-18-21-9-15(19)16(22-18)17(24)23(14-7-8-28(25,26)11-14)10-12-3-5-13(20)6-4-12/h3-6,9,14H,2,7-8,10-11H2,1H3