N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H30N4OS/c1-3-27-20(19-7-5-4-6-8-19)25-26-22(27)29-15(2)21(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,15-18H,3,9-14H2,1-2H3,(H,24,28)