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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-phenethyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-phenethyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C20H15N3OS3 MolecularWeight: 409.5476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CS4

InChI

InChI=1S/C20H15N3OS3/c21-9-12-26-20-22-18-17(15(13-27-18)16-7-4-11-25-16)19(24)23(20)10-8-14-5-2-1-3-6-14/h1-7,11,13H,8,10,12H2