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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C27H26N4O2S MolecularWeight: 470.58594

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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=CC=CC(=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-18-26(29-27(34)28-23-11-8-10-22(16-23)20(3)32)19(2)31(30-18)17-21-9-7-14-25(15-21)33-24-12-5-4-6-13-24/h4-16H,17H2,1-3H3,(H2,28,29,34)