1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N3OS/c1-14-22-23-20(24(14)18-5-3-2-4-6-18)26-13-19(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-18H,2-13H2,1H3