2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chloro-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chloro-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chloro-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chloro-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O3S/c1-7-4-11(17)15-12(14-7)20-6-8-2-3-9(13)10(5-8)16(18)19/h2-5H,6H2,1H3,(H,14,15,17)