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

Systemtic Name: tert-butyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O2S/c1-19(2,3)25-16(24)13-26-18-22-21-17(14-9-11-20-12-10-14)23(18)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3