3-(1-adamantyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1-adamantyl)-5-[(4-methylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-5-[(4-methylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C26H29N3S MolecularWeight: 415.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3S/c1-18-7-9-19(10-8-18)17-30-25-28-27-24(29(25)23-5-3-2-4-6-23)26-14-20-11-21(15-26)13-22(12-20)16-26/h2-10,20-22H,11-17H2,1H3