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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)Cl

InChI

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