2-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-6-phenyl-1H-pyrimidin-4-one Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c21-16-10-15(13-6-2-1-3-7-13)18-17(19-16)24-11-12-5-4-8-14(9-12)20(22)23/h1-10H,11H2,(H,18,19,21)