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

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(3-fluorophenyl)thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(3-fluorophenyl)thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-(3-fluorophenyl)thiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-(3-fluorophenyl)thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(3-fluorophenyl)thiourea Formula: C16H21FN4S MolecularWeight: 320.428143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN4S/c1-16(2,3)14(11-21-9-5-8-18-21)20-15(22)19-13-7-4-6-12(17)10-13/h4-10,14H,11H2,1-3H3,(H2,19,20,22)