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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-phenylthiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-phenyl-thiourea Formula: C25H24N4OS MolecularWeight: 428.54926

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4OS/c1-18-24(27-25(31)26-21-11-5-3-6-12-21)19(2)29(28-18)17-20-10-9-15-23(16-20)30-22-13-7-4-8-14-22/h3-16H,17H2,1-2H3,(H2,26,27,31)