tert-butyl 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)COC2=CC=CC(=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C16H22N4O4S/c1-16(2,3)24-14(21)10-25-15-19-18-13(20(15)17)9-23-12-7-5-6-11(8-12)22-4/h5-8H,9-10,17H2,1-4H3