3-[(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-ethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-ethyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-ethyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C22H17N3OS2/c1-2-25-21(26)19-18(17-9-4-3-5-10-17)14-27-20(19)24-22(25)28-13-16-8-6-7-15(11-16)12-23/h3-11,14H,2,13H2,1H3