2-phenacylsulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(phenacylthio)-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-phenacylsulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C26H20N2O2S2 MolecularWeight: 456.5792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O2S2/c29-21(19-11-5-2-6-12-19)17-31-26-27-23-20-13-7-8-14-22(20)32-24(23)25(30)28(26)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2