6-methyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c1-11-9-16(22)20-18(19-11)26-15-8-7-13(10-14(15)21(24)25)17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,22)