2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(2-brosylethylthio)-6-propyl-1H-pyrimidin-4-one Formula: C15H17BrN2O3S2 MolecularWeight: 417.34108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN2O3S2/c1-2-3-12-10-14(19)18-15(17-12)22-8-9-23(20,21)13-6-4-11(16)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19)