1-[1-(1-adamantyl)pyrazol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H28N4OS/c25-18(20-12-16-2-1-5-24-16)21-17-3-4-23(22-17)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-4,13-16H,1-2,5-12H2,(H2,20,21,22,25)/t13?,14?,15?,16-,19?/m1/s1