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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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