1-(1-adamantylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(1-adamantylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(1-adamantylmethyl)-3-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(1-adamantylmethyl)-3-[1-(2-fluorobenzyl)pyrazol-4-yl]thiourea Formula: C22H27FN4S MolecularWeight: 398.539983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CN(N=C4)CC5=CC=CC=C5F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CN(N=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C22H27FN4S/c23-20-4-2-1-3-18(20)12-27-13-19(11-25-27)26-21(28)24-14-22-8-15-5-16(9-22)7-17(6-15)10-22/h1-4,11,13,15-17H,5-10,12,14H2,(H2,24,26,28)