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

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-ethoxy-3-nitrophenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-ethoxy-3-nitro-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3S/c1-3-12-15-16-13(17(12)14)22-8-9-5-6-11(21-4-2)10(7-9)18(19)20/h5-7H,3-4,8,14H2,1-2H3