1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H16ClN5OS/c1-9-7-10(2)20(19-9)8-13(21)17-18-14(22)16-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)