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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-bromanyl-N-[(4-ethylphenyl)methyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethylphenyl)methyl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(1,1-diketothiolan-3-yl)-N-(4-ethylbenzyl)-2-(ethylthio)pyrimidine-4-carboxamide Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Br)SCC

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Br)SCC

InChI

InChI=1S/C20H24BrN3O3S2/c1-3-14-5-7-15(8-6-14)12-24(16-9-10-29(26,27)13-16)19(25)18-17(21)11-22-20(23-18)28-4-2/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3