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

Systemtic Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-ethoxy-3-nitrophenyl)methylthio]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-ethoxy-3-nitro-benzyl)thio]-4-phenyl-5-p-phenetyl-1,2,4-triazole Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OCC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4S/c1-3-32-21-13-11-19(12-14-21)24-26-27-25(28(24)20-8-6-5-7-9-20)34-17-18-10-15-23(33-4-2)22(16-18)29(30)31/h5-16H,3-4,17H2,1-2H3