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

Systemtic Name: 2-[[5-[(3-methyl-4-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-isopropyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-isopropyl-3-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=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-9(2)12-5-4-11(6-10(12)3)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