5-chloranyl-N-(4-methyl-3-nitro-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methyl-3-nitro-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-methyl-3-nitro-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-methyl-3-nitrophenyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-methyl-3-nitro-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H11ClN4O3S MolecularWeight: 338.76944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O3S/c1-7-3-4-8(5-10(7)18(20)21)16-12(19)11-9(14)6-15-13(17-11)22-2/h3-6H,1-2H3,(H,16,19)