2-[[4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C21H22N3O3S- MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c1-15(2)27-18-11-8-16(9-12-18)10-13-19-22-23-21(28-14-20(25)26)24(19)17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,25,26)/p-1