3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N4O4S/c1-3-6-16-12(18)14-15-13(16)22-8-9-7-10(17(19)20)4-5-11(9)21-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,18)