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

Systemtic Name: 2-[[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-9(2)11-5-4-10(3)6-12(11)21-7-13-16-15(18-17-13)22-8-14(19)20/h4-6,9H,7-8H2,1-3H3,(H,19,20)(H,16,17,18)/p-1