3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-ethoxy-3-nitrophenyl)methylthio]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-ethoxy-3-nitro-benzyl)thio]-5-p-phenetyl-1H-1,2,4-triazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-3-26-15-8-6-14(7-9-15)18-20-19(22-21-18)28-12-13-5-10-17(27-4-2)16(11-13)23(24)25/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)