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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=S)NC3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=S)NC3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C21H23ClN4S/c1-13-5-8-17(9-6-13)12-26-16(4)20(15(3)25-26)24-21(27)23-19-11-18(22)10-7-14(19)2/h5-11H,12H2,1-4H3,(H2,23,24,27)