tert-butyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)29-20(27)16-30-22-25-24-21(18-10-12-19(28-4)13-11-18)26(22)15-14-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3