3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxybenzyl)thio]-1,2,4-triazole Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC)OC

InChI

InChI=1S/C28H31N3O7S/c1-32-20-10-8-18(14-22(20)34-3)27-29-30-28(31(27)19-9-11-21(33-2)23(15-19)35-4)39-16-17-12-24(36-5)26(38-7)25(13-17)37-6/h8-15H,16H2,1-7H3