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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1CC=C)CC

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1CC=C)CC

InChI

InChI=1S/C12H19N3O2S/c1-4-7-15-10(6-3)13-14-12(15)18-9-11(16)17-8-5-2/h4H,1,5-9H2,2-3H3