1-(1-adamantyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1-adamantyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(1-adamantyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(1-adamantyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-14-19(20(27)26(25(14)2)18-6-4-3-5-7-18)23-21(28)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H2,23,24,28)