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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-(3-methoxypropyl)-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-4-(3-methoxypropyl)-1,2,4-triazole Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O6S/c1-29-11-5-10-25-21(15-6-8-19(31-3)20(13-15)32-4)23-24-22(25)33-14-16-12-17(26(27)28)7-9-18(16)30-2/h6-9,12-13H,5,10-11,14H2,1-4H3