2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(prop-2-enylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(allylthio)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C13H14N2OS2 MolecularWeight: 278.39306

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

C=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C13H14N2OS2/c1-2-7-17-13-14-11(16)10-8-5-3-4-6-9(8)18-12(10)15-13/h2H,1,3-7H2,(H,14,15,16)