ethyl 1-(4-aminocarbonylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-aminocarbonylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-carbamoylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-carbamoylphenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-carbamoylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-carbamoylphenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-3-26-20(25)17-12-18(13-6-10-16(27-2)11-7-13)23(22-17)15-8-4-14(5-9-15)19(21)24/h4-12H,3H2,1-2H3,(H2,21,24)