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

Systemtic Name: 1-cyclohexyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-cyclohexyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-cyclohexyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-cyclohexyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-cyclohexyl-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4CCCCC4

InChI

InChI=1S/C25H30N4OS/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/h4,7-10,13-16,21H,3,5-6,11-12,17H2,1-2H3,(H2,26,27,31)