2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazin-1-yl]ethanone Openeye Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]ethanone CAS Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]ethanone Traditional Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-[2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]piperazino]ethanone Formula: C42H44N8O4S2 MolecularWeight: 788.97996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)CSC5=NN=C(N5C6=CC=CC=C6)COC7=CC(=C(C=C7)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)CSC5=NN=C(N5C6=CC=CC=C6)COC7=CC(=C(C=C7)C)C)C

InChI

InChI=1S/C42H44N8O4S2/c1-29-15-17-35(23-31(29)3)53-25-37-43-45-41(49(37)33-11-7-5-8-12-33)55-27-39(51)47-19-21-48(22-20-47)40(52)28-56-42-46-44-38(50(42)34-13-9-6-10-14-34)26-54-36-18-16-30(2)32(4)24-36/h5-18,23-24H,19-22,25-28H2,1-4H3