1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-3-propan-2-yl-thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-4-yl]-3-isopropyl-thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolyl]-3-propan-2-ylthiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-4-yl]-3-isopropyl-thiourea Formula: C14H16ClFN4S MolecularWeight: 326.820043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=CN(N=C1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)NC(=S)NC1=CN(N=C1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H16ClFN4S/c1-9(2)18-14(21)19-10-6-17-20(7-10)8-11-12(15)4-3-5-13(11)16/h3-7,9H,8H2,1-2H3,(H2,18,19,21)