1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Formula: C18H13ClF3N5OS MolecularWeight: 439.84193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3N5OS/c19-12-7-6-11(18(20,21)22)8-14(12)23-17(29)27-26-16(28)15-9-13(24-25-15)10-4-2-1-3-5-10/h1-9H,(H,24,25)(H,26,28)(H2,23,27,29)