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

Systemtic Name: N-(1-adamantyl)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H29N5OS MolecularWeight: 363.52076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H29N5OS/c1-17(2,3)15-21-22-16(23(15)19)25-10-14(24)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,4-10,19H2,1-3H3,(H,20,24)