4-ethyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-methoxy-5-nitro-benzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3OC

InChI

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