1-(4-bromanyl-2-chloranyl-phenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C16H20BrClN4S MolecularWeight: 415.7788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H20BrClN4S/c1-16(2,3)14(10-22-8-4-7-19-22)21-15(23)20-13-6-5-11(17)9-12(13)18/h4-9,14H,10H2,1-3H3,(H2,20,21,23)