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

Systemtic Name: 2-[[5-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[3-(4-isopropyl-3-methyl-phenoxy)propyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C17H22N3O3S- MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC2=NC(=NN2)SCC(=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC2=NC(=NN2)SCC(=O)[O-])C(C)C

InChI

InChI=1S/C17H23N3O3S/c1-11(2)14-7-6-13(9-12(14)3)23-8-4-5-15-18-17(20-19-15)24-10-16(21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,21,22)(H,18,19,20)/p-1