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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-bromanyl-2-ethylsulfanyl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanyl-N-(2-thienylmethyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(1,1-dioxo-3-thiolanyl)-2-(ethylthio)-N-(thiophen-2-ylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanyl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(1,1-diketothiolan-3-yl)-2-(ethylthio)-N-(2-thenyl)pyrimidine-4-carboxamide Formula: C16H18BrN3O3S3 MolecularWeight: 476.43142

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)Br

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)Br

InChI

InChI=1S/C16H18BrN3O3S3/c1-2-24-16-18-8-13(17)14(19-16)15(21)20(9-12-4-3-6-25-12)11-5-7-26(22,23)10-11/h3-4,6,8,11H,2,5,7,9-10H2,1H3