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

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-methyl-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21ClN4S/c1-14-9-15(2)19(18(21)10-14)23-20(26)24(3)12-16-11-22-25(13-16)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,23,26)