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

Systemtic Name: 2-methylpropyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2S/c1-5-6-15-10(4)13-14-12(15)18-8-11(16)17-7-9(2)3/h5,9H,1,6-8H2,2-4H3