2-(1-adamantylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: 2-(1-adamantylthio)-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H31N3OS/c1-15-4-6-21(7-5-15)27-17(3)23(16(2)26-27)25-22(28)14-29-24-11-18-8-19(12-24)10-20(9-18)13-24/h4-7,18-20H,8-14H2,1-3H3,(H,25,28)