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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-phenyl-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-phenyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3SC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3SC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S2/c1-13-7-8-15(17(11-13)25(27)28)24-20(26)18(14-5-3-2-4-6-14)30-21-19-16(9-10-29-19)22-12-23-21/h2-12,18H,1H3,(H,24,26)