1-(4-bromanyl-2-chloranyl-phenyl)-3-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]thiourea Formula: C17H12Br2ClFN4S MolecularWeight: 518.628383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Br2ClFN4S/c18-11-5-6-15(13(20)7-11)22-17(26)23-16-12(19)9-25(24-16)8-10-3-1-2-4-14(10)21/h1-7,9H,8H2,(H2,22,23,24,26)