N-(1-adamantyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H28N4O2S/c1-2-3-4-22-16(24)20-21-17(22)25-11-15(23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,2-11H2,1H3,(H,19,23)(H,20,24)