3-[2-(1-adamantyl)ethylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole

Systemtic Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Openeye Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole CAS Name: 3-[2-(1-adamantyl)ethylthio]-4-cyclohexyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-cyclohexyl-5-methyl-1,2,4-triazole Traditional Name: 3-[2-(1-adamantyl)ethylthio]-4-cyclohexyl-5-methyl-1,2,4-triazole Formula: C21H33N3S MolecularWeight: 359.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H33N3S/c1-15-22-23-20(24(15)19-5-3-2-4-6-19)25-8-7-21-12-16-9-17(13-21)11-18(10-16)14-21/h16-19H,2-14H2,1H3