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

Systemtic Name: methyl 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)OC

InChI

InChI=1S/C18H23N3O3S/c1-5-10-21-16(19-20-18(21)25-12-17(22)23-4)11-24-15-8-6-14(7-9-15)13(2)3/h5-9,13H,1,10-12H2,2-4H3