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

Systemtic Name: tert-butyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)22-14(20)11-23-15-18-17-13(10-21-4)19(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3