N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-phenyl-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H13ClN4O3S2 MolecularWeight: 456.92522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H13ClN4O3S2/c21-15-7-6-13(10-16(15)25(27)28)24-18(26)17(12-4-2-1-3-5-12)30-20-14-8-9-29-19(14)22-11-23-20/h1-11,17H,(H,24,26)