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

Systemtic Name: methyl 3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: methyl 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanoate CAS Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Traditional Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=S)N(C(=N1)COC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C(=S)N(C(=N1)COC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O3S/c1-25-18(24)11-12-22-19(27)23(15-5-3-2-4-6-15)17(21-22)13-26-16-9-7-14(20)8-10-16/h2-10H,11-13H2,1H3