5-chloranyl-1-[(4-nitrophenyl)sulfanylmethyl]pyrimidin-2-one

Systemtic Name: 5-chloranyl-1-[(4-nitrophenyl)sulfanylmethyl]pyrimidin-2-one Openeye Name: 5-chloro-1-[(4-nitrophenyl)sulfanylmethyl]pyrimidin-2-one CAS Name: 5-chloro-1-[[(4-nitrophenyl)thio]methyl]-2-pyrimidinone IUPAC Name: 5-chloro-1-[(4-nitrophenyl)sulfanylmethyl]pyrimidin-2-one Traditional Name: 5-chloro-1-[[(4-nitrophenyl)thio]methyl]pyrimidin-2-one Formula: C11H8ClN3O3S MolecularWeight: 297.71752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCN2C=C(C=NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCN2C=C(C=NC2=O)Cl

InChI

InChI=1S/C11H8ClN3O3S/c12-8-5-13-11(16)14(6-8)7-19-10-3-1-9(2-4-10)15(17)18/h1-6H,7H2