4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]benzonitrile Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C17H15N3OS2/c1-10-11(2)23-17-15(10)16(21)19-14(20-17)9-22-8-13-5-3-12(7-18)4-6-13/h3-6H,8-9H2,1-2H3,(H,19,20,21)