4-[(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-methyl-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3OS2/c1-24-20(25)17-11-18(16-5-3-2-4-6-16)27-19(17)23-21(24)26-13-15-9-7-14(12-22)8-10-15/h2-11H,13H2,1H3