1-[5-[2,6-bis(fluoranyl)phenyl]-1H-pyrazol-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-[5-[2,6-bis(fluoranyl)phenyl]-1H-pyrazol-3-yl]-3-phenyl-thiourea Openeye Name: 1-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-phenyl-thiourea CAS Name: 1-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-phenylthiourea IUPAC Name: 1-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-phenylthiourea Traditional Name: 1-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-phenyl-thiourea Formula: C16H12F2N4S MolecularWeight: 330.355086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=C(C=CC=C3F)F

InChI

InChI=1S/C16H12F2N4S/c17-11-7-4-8-12(18)15(11)13-9-14(22-21-13)20-16(23)19-10-5-2-1-3-6-10/h1-9H,(H3,19,20,21,22,23)