1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C17H13BrClFN4S MolecularWeight: 439.732323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)CN3C=C(C=N3)Br

InChI

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