1-(1,3-benzodioxol-5-yl)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O3S2/c1-13-19(14-5-3-2-4-6-14)20-21(23-11-24-22(20)29-13)28-10-16(25)15-7-8-17-18(9-15)27-12-26-17/h2-9,11H,10,12H2,1H3