2-[(3-bromophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-bromobenzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H19BrN2OS2 MolecularWeight: 447.41166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)Br)SC4=C2CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)Br)SC4=C2CCCC4

InChI

InChI=1S/C20H19BrN2OS2/c1-2-10-23-19(24)17-15-8-3-4-9-16(15)26-18(17)22-20(23)25-12-13-6-5-7-14(21)11-13/h2,5-7,11H,1,3-4,8-10,12H2