2-methyl-4-(3-methylsulfanyl-2-oxidanylidene-propyl)-5-nitro-1,2,4-triazol-3-one

Systemtic Name: 2-methyl-4-(3-methylsulfanyl-2-oxidanylidene-propyl)-5-nitro-1,2,4-triazol-3-one Openeye Name: 2-methyl-4-(3-methylsulfanyl-2-oxo-propyl)-5-nitro-1,2,4-triazol-3-one CAS Name: 2-methyl-4-[3-(methylthio)-2-oxopropyl]-5-nitro-1,2,4-triazol-3-one IUPAC Name: 2-methyl-4-(3-methylsulfanyl-2-oxopropyl)-5-nitro-1,2,4-triazol-3-one Traditional Name: 4-[2-keto-3-(methylthio)propyl]-2-methyl-5-nitro-1,2,4-triazol-3-one Formula: C7H10N4O4S MolecularWeight: 246.2437

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)[N+](=O)[O-])CC(=O)CSC

Isomeric SMILES

CN1C(=O)N(C(=N1)[N+](=O)[O-])CC(=O)CSC

InChI

InChI=1S/C7H10N4O4S/c1-9-7(13)10(3-5(12)4-16-2)6(8-9)11(14)15/h3-4H2,1-2H3