3-(2-hydroxyethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2-hydroxyethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-hydroxyethyl)-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2-hydroxyethyl)-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(2-hydroxyethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-hydroxyethyl)-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CCO)SC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CCO)SC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3S2/c23-11-10-22-19(25)18-17(14-8-4-5-9-16(14)27-18)21-20(22)26-12-15(24)13-6-2-1-3-7-13/h1-9,23H,10-12H2