1-(4-bromanyl-2-chloranyl-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C25H22BrClN4OS MolecularWeight: 541.89038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrClN4OS/c1-16-24(29-25(33)28-23-12-11-19(26)14-22(23)27)17(2)31(30-16)15-18-7-6-10-21(13-18)32-20-8-4-3-5-9-20/h3-14H,15H2,1-2H3,(H2,28,29,33)