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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H22N4O5S/c1-31-20-12-10-19(28(29)30)13-17(20)15-34-24-26-25-23(27(24)18-7-5-4-6-8-18)16-9-11-21(32-2)22(14-16)33-3/h4-14H,15H2,1-3H3