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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C20H20BrClN4S MolecularWeight: 463.8216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C20H20BrClN4S/c1-12-6-4-5-7-15(12)11-26-14(3)19(13(2)25-26)24-20(27)23-18-9-8-16(21)10-17(18)22/h4-10H,11H2,1-3H3,(H2,23,24,27)