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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3OCC)[N+](=O)[O-]

InChI

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