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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C26H25ClN4OS MolecularWeight: 477.0209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H25ClN4OS/c1-17-12-13-21(27)15-24(17)28-26(33)29-25-18(2)30-31(19(25)3)16-20-8-7-11-23(14-20)32-22-9-5-4-6-10-22/h4-15H,16H2,1-3H3,(H2,28,29,33)