N-(4-methyl-3-nitro-phenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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