2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2NC(CC(=O)N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2NC(CC(=O)N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-25-16-8-7-12(9-15(16)21(23)24)11-26-18-19-14(10-17(22)20-18)13-5-3-2-4-6-13/h2-9,14,18-19H,10-11H2,1H3,(H,20,22)