1-[1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea

Systemtic Name: 1-[1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: [1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: [1-(2-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: [1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: [1-(2-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2Cl)C)NC(=S)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2Cl)C)NC(=S)N

InChI

InChI=1S/C12H13ClN4S/c1-7-11(15-12(14)18)8(2)17(16-7)10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H3,14,15,18)