2-(1-adamantylsulfanyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Formula: C20H31N3OS MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H31N3OS/c1-14-6-15(2)23(22-14)5-3-4-21-19(24)13-25-20-10-16-7-17(11-20)9-18(8-16)12-20/h6,16-18H,3-5,7-13H2,1-2H3,(H,21,24)