(1,3-diphenylpyrazol-4-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C24H22N2O2S MolecularWeight: 402.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O2S/c1-3-21-17(2)14-22(29-21)24(27)28-16-19-15-26(20-12-8-5-9-13-20)25-23(19)18-10-6-4-7-11-18/h4-15H,3,16H2,1-2H3