2-methylsulfanyl-3-phenyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide

Systemtic Name: 2-methylsulfanyl-3-phenyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Openeye Name: 2-methylsulfanyl-3-phenyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide CAS Name: 2-(methylthio)-3-phenyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-imidazolecarboxamide IUPAC Name: 2-methylsulfanyl-3-phenyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Traditional Name: 2-(methylthio)-3-phenyl-N-[2-(pyrazol-1-ylmethyl)benzyl]imidazole-4-carboxamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H21N5OS/c1-29-22-24-15-20(27(22)19-10-3-2-4-11-19)21(28)23-14-17-8-5-6-9-18(17)16-26-13-7-12-25-26/h2-13,15H,14,16H2,1H3,(H,23,28)