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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethyl-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C22H17N3OS2/c23-12-14-27-22-24-20-19(18(15-28-20)17-9-5-2-6-10-17)21(26)25(22)13-11-16-7-3-1-4-8-16/h1-10,15H,11,13-14H2