N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-3-phenyl-pyrazole-4-carboxamide Formula: C23H23N5OS MolecularWeight: 417.52662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-27-14-12-25-23(27)30-15-13-24-22(29)20-17-28(16-18-8-4-2-5-9-18)26-21(20)19-10-6-3-7-11-19/h2-12,14,17H,13,15-16H2,1H3,(H,24,29)