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

Systemtic Name: 4,6-dimethyl-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C21H16N4OS2/c1-12-8-13(2)23-20(15(12)9-22)28-11-17-24-19(26)18-16(10-27-21(18)25-17)14-6-4-3-5-7-14/h3-8,10H,11H2,1-2H3,(H,24,25,26)