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

Systemtic Name: ethyl 3-[4-[4-(4-cyanophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoate Openeye Name: ethyl 3-[4-[4-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-cyanophenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]phenyl]propionic acid ethyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C(=N2)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)N2C(=O)N(C(=N2)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O3/c1-3-28-20(26)13-8-16-4-11-19(12-5-16)25-21(27)24(15(2)23-25)18-9-6-17(14-22)7-10-18/h4-7,9-12H,3,8,13H2,1-2H3