3-(4-fluorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[3-(1-imidazolylmethyl)phenyl]-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanylimidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]-2-(methylthio)imidazole-4-carboxamide Formula: C21H18FN5OS MolecularWeight: 407.463923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C21H18FN5OS/c1-29-21-24-12-19(27(21)18-7-5-16(22)6-8-18)20(28)25-17-4-2-3-15(11-17)13-26-10-9-23-14-26/h2-12,14H,13H2,1H3,(H,25,28)