2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: N-(2-nitrophenyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: N-(2-nitrophenyl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S2/c1-13-6-8-14(9-7-13)15-10-29-20-19(15)21(23-12-22-20)30-11-18(26)24-16-4-2-3-5-17(16)25(27)28/h2-10,12H,11H2,1H3,(H,24,26)