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

Systemtic Name: 2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(prop-2-ynylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(propargylthio)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C13H12N2OS2 MolecularWeight: 276.37718

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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/C13H12N2OS2/c1-2-7-17-13-14-11(16)10-8-5-3-4-6-9(8)18-12(10)15-13/h1H,3-7H2,(H,14,15,16)