1-(4-bromophenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea

Systemtic Name: 1-(4-bromophenyl)-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea Openeye Name: 1-(4-bromophenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-(4-bromophenyl)-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-(4-bromophenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C16H21BrN4S MolecularWeight: 381.33374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4S/c1-16(2,3)14(11-21-10-4-9-18-21)20-15(22)19-13-7-5-12(17)6-8-13/h4-10,14H,11H2,1-3H3,(H2,19,20,22)