[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C26H27N5O3S MolecularWeight: 489.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C26H27N5O3S/c1-18-22(19(2)30(29-18)16-20-10-6-4-7-11-20)14-27-24(32)17-34-25(33)23-15-28-26(35-3)31(23)21-12-8-5-9-13-21/h4-13,15H,14,16-17H2,1-3H3,(H,27,32)