2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-7-5-12(18)15-13(14-7)21-11-4-3-9(8(2)17)6-10(11)16(19)20/h3-6H,1-2H3,(H,14,15,18)