5-(2-ethylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one

Systemtic Name: 5-(2-ethylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Openeye Name: 5-(2-ethylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[2-(ethylthio)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1,3-diazinan-4-one IUPAC Name: 5-(2-ethylsulfanylethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 5-[2-(ethylthio)ethyl]-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-hexahydropyrimidin-4-one Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N3O4S2/c1-4-25-8-7-13-11(2)18-17(19-16(13)21)26-10-12-5-6-15(24-3)14(9-12)20(22)23/h5-6,9,11,13,17-18H,4,7-8,10H2,1-3H3,(H,19,21)