3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 3-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[1-(2-fluorobenzyl)pyrazol-4-yl]thiourea Formula: C25H23FN4S MolecularWeight: 430.540323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H23FN4S/c26-24-14-8-7-13-22(24)18-30-19-23(15-27-30)28-25(31)29(16-20-9-3-1-4-10-20)17-21-11-5-2-6-12-21/h1-15,19H,16-18H2,(H,28,31)