1-(4-bromanyl-2-chloranyl-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C17H14BrClN4S MolecularWeight: 421.74186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrClN4S/c18-13-5-6-16(15(19)10-13)22-17(24)21-14-4-1-3-12(9-14)11-23-8-2-7-20-23/h1-10H,11H2,(H2,21,22,24)