1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2CCCOC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2CCCOC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H33N3O4S/c1-6-18-9-10-19(7-2)21(15-18)22(30)17-34-26-28-27-25(29(26)13-8-14-31-3)20-11-12-23(32-4)24(16-20)33-5/h9-12,15-16H,6-8,13-14,17H2,1-5H3