3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-methoxy-3-nitro-benzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O3S/c1-7-13-14-11(15(7)12)20-6-8-3-4-10(19-2)9(5-8)16(17)18/h3-5H,6,12H2,1-2H3