3-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(methylthio)-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(methylthio)benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=CC=CC=C3S2)C(=O)N1C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3S2)C(=O)N1C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H12N2O3S2/c1-24-18-19-16-15(11-4-2-3-5-14(11)25-16)17(21)20(18)10-6-7-12-13(8-10)23-9-22-12/h2-8H,9H2,1H3