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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C)C

InChI

InChI=1S/C16H20ClN5OS/c1-9-5-10(2)15(13(17)6-9)18-16(24)20-19-14(23)8-22-12(4)7-11(3)21-22/h5-7H,8H2,1-4H3,(H,19,23)(H2,18,20,24)