1-(4-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C25H23ClN4OS MolecularWeight: 462.99432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4OS/c1-17-24(28-25(32)27-21-13-11-20(26)12-14-21)18(2)30(29-17)16-19-7-6-10-23(15-19)31-22-8-4-3-5-9-22/h3-15H,16H2,1-2H3,(H2,27,28,32)