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

Systemtic Name: 2-[5-(2-chlorophenyl)-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[5-(2-chlorophenyl)-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-(2-chlorophenyl)-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[5-(2-chlorophenyl)-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(2-chlorophenyl)-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C22H16ClN3OS2 MolecularWeight: 437.96494

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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=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCC#N)SC=C3C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3OS2/c23-18-9-5-4-8-16(18)17-14-29-20-19(17)21(27)26(22(25-20)28-13-11-24)12-10-15-6-2-1-3-7-15/h1-9,14H,10,12-13H2