1-(1-adamantyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C20H27N3OS/c1-2-5-23-18(16-3-4-16)21-22-19(23)25-12-17(24)20-9-13-6-14(10-20)8-15(7-13)11-20/h2,13-16H,1,3-12H2