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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C)Cl

InChI

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