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

Systemtic Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-oxidanyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-2-thioxo-hexahydropyrimidin-4-one CAS Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-2-thioxo-hexahydropyrimidin-4-one Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC2C(NC(=S)NC2=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC2C(NC(=S)NC2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S2/c1-22-11-3-2-8(6-10(11)17(20)21)7-24-5-4-9-12(18)15-14(23)16-13(9)19/h2-3,6,9,12,18H,4-5,7H2,1H3,(H2,15,16,19,23)