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

Systemtic Name: 2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C20H13N3OS2 MolecularWeight: 375.46672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

InChI

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