1-adamantyl-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: 1-adamantyl-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]methanone CAS Name: 1-adamantyl-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]methanone IUPAC Name: 1-adamantyl-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: 1-adamantyl-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]methanone Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H28N2OS/c1-14-4-6-20(7-5-14)27-21-15(2)24-25(16(21)3)22(26)23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,17-19H,8-13H2,1-3H3