1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-[(4-fluorophenyl)-(2-thienyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-[(4-fluorophenyl)-(2-thienyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C22H19FN4OS MolecularWeight: 406.475863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H19FN4OS/c23-18-10-8-17(9-11-18)21(20-7-4-12-29-20)26-22(28)24-13-16-14-25-27(15-16)19-5-2-1-3-6-19/h1-12,14-15,21H,13H2,(H2,24,26,28)