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

Systemtic Name: methyl 3-oxidanylidene-3-[2-(2-phenyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]propanoate Openeye Name: methyl 3-oxo-3-[2-(2-phenyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]propanoate CAS Name: 3-oxo-3-[2-(2-phenyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-oxo-3-[2-(2-phenyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]propanoate Traditional Name: 3-keto-3-[2-(2-phenyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]propionic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC=CC=C1C2=NC(=S)N(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(=O)C1=CC=CC=C1C2=NC(=S)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-24-16(23)11-15(22)13-9-5-6-10-14(13)17-19-18(25)21(20-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20,25)