2-(1-adamantylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2OS/c24-20(23-7-6-19(22-23)18-4-2-1-3-5-18)14-25-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,15-17H,6-14H2