6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-pyrimidin-4-one Openeye Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-pyrimidin-4-one CAS Name: 6-methyl-2-[(4-nitrophenyl)methylthio]-3-phenyl-4-pyrimidinone IUPAC Name: 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenylpyrimidin-4-one Traditional Name: 6-methyl-2-[(4-nitrobenzyl)thio]-3-phenyl-pyrimidin-4-one Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-13-11-17(22)20(15-5-3-2-4-6-15)18(19-13)25-12-14-7-9-16(10-8-14)21(23)24/h2-11H,12H2,1H3