3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-14-7-5-6-10-16(14)25-13-17-20-21-19(26-12-11-18(23)24)22(17)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,23,24)/p-1