2-[2-(3-bromanylphenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(3-bromophenoxy)ethylthio]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(3-bromophenoxy)ethylthio]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H17BrN2O2S2/c19-11-4-3-5-12(10-11)23-8-9-24-18-20-16(22)15-13-6-1-2-7-14(13)25-17(15)21-18/h3-5,10H,1-2,6-9H2,(H,20,21,22)