N-(cyanomethyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C23H18N4O2S3 MolecularWeight: 478.60962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CC#N)C3=CC=CC=C3)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CC#N)C3=CC=CC=C3)SC=C2C4=CC=CS4

InChI

InChI=1S/C23H18N4O2S3/c1-2-11-27-22(29)20-17(18-9-6-13-30-18)14-31-21(20)25-23(27)32-15-19(28)26(12-10-24)16-7-4-3-5-8-16/h2-9,13-14H,1,11-12,15H2