2-(4,5-dimethoxy-2-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [2-(4,5-dimethoxy-2-nitro-phenyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C(=NC(=N2)SC)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C(=NC(=N2)SC)N)[N+](=O)[O-])OC

InChI

InChI=1S/C11H13N5O4S/c1-19-8-4-6(7(16(17)18)5-9(8)20-2)15-10(12)13-11(14-15)21-3/h4-5H,1-3H3,(H2,12,13,14)