3-[2-(1-adamantyl)ethylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(1-adamantyl)ethylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[2-(1-adamantyl)ethylthio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3OS/c1-25-19-5-3-2-4-18(19)24-14-22-23-20(24)26-7-6-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,14-17H,6-13H2,1H3