1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C21H23F3N4S MolecularWeight: 420.49433

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C21H23F3N4S/c22-21(23,24)16-3-1-2-4-17(16)25-19(29)26-18-5-6-28(27-18)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H2,25,26,27,29)