2-methylsulfanyl-3-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-3-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-methylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(methylthio)-3-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-benzyl-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-(methylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H14N2OS2 MolecularWeight: 338.44656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC4=CC=CC=C42

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)SC4=CC=CC=C42

InChI

InChI=1S/C18H14N2OS2/c1-22-18-19-15-13-9-5-6-10-14(13)23-16(15)17(21)20(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3