2-[[5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[5-(2-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]-6-methyl-nicotinonitrile Formula: C22H15ClN4O2S2 MolecularWeight: 466.9631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2)C#N)C(=O)C

InChI

InChI=1S/C22H15ClN4O2S2/c1-11-15(12(2)28)7-13(8-24)21(25-11)31-10-18-26-20(29)19-16(9-30-22(19)27-18)14-5-3-4-6-17(14)23/h3-7,9H,10H2,1-2H3,(H,26,27,29)