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

Systemtic Name: 3-[[5-[(4-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C18H15ClN3O3S- MolecularWeight: 388.848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S/c19-13-6-8-15(9-7-13)25-12-16-20-21-18(26-11-10-17(23)24)22(16)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,24)/p-1