1-[[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carbonyl]amino]-3-phenyl-thiourea CAS Name: 1-[[[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carbonyl]amino]-3-phenylthiourea Traditional Name: 1-[[5-tert-butyl-2-(2,4-dichlorobenzyl)pyrazole-3-carbonyl]amino]-3-phenyl-thiourea Formula: C22H23Cl2N5OS MolecularWeight: 476.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N5OS/c1-22(2,3)19-12-18(29(28-19)13-14-9-10-15(23)11-17(14)24)20(30)26-27-21(31)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,26,30)(H2,25,27,31)