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

Systemtic Name: tert-butyl 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C13H21N3O3S MolecularWeight: 299.38914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1CC=C)COC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CC=C)COC

InChI

InChI=1S/C13H21N3O3S/c1-6-7-16-10(8-18-5)14-15-12(16)20-9-11(17)19-13(2,3)4/h6H,1,7-9H2,2-5H3