3-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-(2-brosylethyl)-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C15H14BrN3O4S MolecularWeight: 412.25836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CCS(=O)(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H14BrN3O4S/c1-2-18-10-11(9-17)14(20)19(15(18)21)7-8-24(22,23)13-5-3-12(16)4-6-13/h3-6,10H,2,7-8H2,1H3