3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-methyl-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-methyl-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H16N2OS2 MolecularWeight: 364.48384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC=CC3=CC=CC=C3)SC4=CC=CC=C42

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC/C=C/C3=CC=CC=C3)SC4=CC=CC=C42

InChI

InChI=1S/C20H16N2OS2/c1-22-19(23)17-15-11-5-6-12-16(15)25-18(17)21-20(22)24-13-7-10-14-8-3-2-4-9-14/h2-12H,13H2,1H3/b10-7+