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

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H13N3OS2 MolecularWeight: 375.46672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4C#N)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4C#N)SC=C3

InChI

InChI=1S/C20H13N3OS2/c21-12-14-6-4-5-7-15(14)13-26-20-22-18-17(10-11-25-18)19(24)23(20)16-8-2-1-3-9-16/h1-11H,13H2