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

Systemtic Name: N-(1-adamantyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5OS/c1-3-27-19(18-4-6-23-7-5-18)25-26-21(27)29-14(2)20(28)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,14-17H,3,8-13H2,1-2H3,(H,24,28)