1-adamantyl-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: 1-adamantyl-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: 1-adamantyl-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: 1-adamantyl-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: 1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: 1-adamantyl-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=CC=C5

InChI

InChI=1S/C22H26N2OS/c1-14-20(26-19-6-4-3-5-7-19)15(2)24(23-14)21(25)22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3