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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-benzyl-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C26H26N4OS MolecularWeight: 442.57584

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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-19-25(28-26(32)27-17-21-10-5-3-6-11-21)20(2)30(29-19)18-22-12-9-15-24(16-22)31-23-13-7-4-8-14-23/h3-16H,17-18H2,1-2H3,(H2,27,28,32)