N-(2,3-dimethyl-6-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC=N2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC=CC=N2)C

InChI

InChI=1S/C14H14N4O3S/c1-9-4-5-11(18(20)21)13(10(9)2)17-12(19)8-22-14-15-6-3-7-16-14/h3-7H,8H2,1-2H3,(H,17,19)