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

Systemtic Name: tert-butyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C12H19N3O2S/c1-6-7-15-9(2)13-14-11(15)18-8-10(16)17-12(3,4)5/h6H,1,7-8H2,2-5H3