3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionic acid Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=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(11-10-17(23)24)18(26)22(16)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,24)