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

Systemtic Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-6-methyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-6-methyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-6-methyl-2-thioxo-hexahydropyrimidin-4-one Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(=S)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)NC(=S)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S2/c1-9-11(14(19)17-15(23)16-9)5-6-24-8-10-3-4-13(22-2)12(7-10)18(20)21/h3-4,7,9,11H,5-6,8H2,1-2H3,(H2,16,17,19,23)