1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

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