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

Systemtic Name: 2-[[5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3-chloro-4-isopropoxy-phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chloro-4-isopropoxy-benzyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H19ClN3O3S- MolecularWeight: 416.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-13(2)27-17-9-8-14(10-16(17)21)11-18-22-23-20(28-12-19(25)26)24(18)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,25,26)/p-1