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

Systemtic Name: 2-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(ethylthio)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(ethylthio)-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C13H16N2OS2 MolecularWeight: 280.40894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1

Isomeric SMILES

CCSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1

InChI

InChI=1S/C13H16N2OS2/c1-3-17-13-14-11(16)10-8-5-4-7(2)6-9(8)18-12(10)15-13/h7H,3-6H2,1-2H3,(H,14,15,16)