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

Systemtic Name: 1-(4-bromophenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiourea Formula: C17H13BrClFN4S MolecularWeight: 439.732323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrClFN4S/c18-11-4-6-12(7-5-11)21-17(25)22-16-8-9-24(23-16)10-13-14(19)2-1-3-15(13)20/h1-9H,10H2,(H2,21,22,23,25)