2-methyl-5-methylsulfanyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazol-3-one

Systemtic Name: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazol-3-one Openeye Name: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitro-2-furyl)methyleneamino]-1,2,4-triazol-3-one CAS Name: 2-methyl-5-(methylthio)-4-[(E)-(5-nitro-2-furanyl)methylideneamino]-1,2,4-triazol-3-one IUPAC Name: 2-methyl-5-methylsulfanyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,2,4-triazol-3-one Traditional Name: 2-methyl-5-(methylthio)-4-[(E)-(5-nitro-2-furyl)methyleneamino]-1,2,4-triazol-3-one Formula: C9H9N5O4S MolecularWeight: 283.26386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)SC)N=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)N(C(=N1)SC)/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4S/c1-12-9(15)13(8(11-12)19-2)10-5-6-3-4-7(18-6)14(16)17/h3-5H,1-2H3/b10-5+