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

Systemtic Name: 2-[4-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]phenyl]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)C4=CC=CC=C4C#N)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)SC=C2

InChI

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