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

Systemtic Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC(=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-10(2)12-6-5-11(3)7-13(12)22-8-14-17-18-16(19(14)4)23-9-15(20)21/h5-7,10H,8-9H2,1-4H3,(H,20,21)/p-1