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

Systemtic Name: ethyl 3-[4-[1-(4-cyanophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]butanoate Openeye Name: ethyl 3-[4-[1-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoate CAS Name: 3-[4-[1-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(4-cyanophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoate Traditional Name: 3-[4-[1-(4-cyanophenyl)-5-keto-3-methyl-1,2,4-triazol-4-yl]phenyl]butyric acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)C1=CC=C(C=C1)N2C(=NN(C2=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CC(C)C1=CC=C(C=C1)N2C(=NN(C2=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H22N4O3/c1-4-29-21(27)13-15(2)18-7-11-19(12-8-18)25-16(3)24-26(22(25)28)20-9-5-17(14-23)6-10-20/h5-12,15H,4,13H2,1-3H3