N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C17H13ClN4OS2 MolecularWeight: 388.89432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H13ClN4OS2/c18-12-3-1-4-13(9-12)22(7-2-6-19)15(23)10-25-17-14-5-8-24-16(14)20-11-21-17/h1,3-5,8-9,11H,2,7,10H2