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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)C

InChI

InChI=1S/C24H31N3OS/c1-3-7-27-22(20-6-4-5-16(2)8-20)25-26-23(27)29-15-21(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-6,8,17-19H,3,7,9-15H2,1-2H3