1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-4-yl]-3-(4-fluorobenzyl)thiourea Formula: C18H16BrFN4S MolecularWeight: 419.313843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN4S/c19-15-5-1-14(2-6-15)11-24-12-17(10-22-24)23-18(25)21-9-13-3-7-16(20)8-4-13/h1-8,10,12H,9,11H2,(H2,21,23,25)