2-[4-oxidanylidene-5-phenyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-(3-benzyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[[4-oxo-5-phenyl-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C21H15N3OS2/c22-11-12-26-21-23-19-18(17(14-27-19)16-9-5-2-6-10-16)20(25)24(21)13-15-7-3-1-4-8-15/h1-10,14H,12-13H2