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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C27H31N5OS/c1-2-32-25(21-7-9-28-10-8-21)30-31-26(32)34-17-24(33)29-23-5-3-22(4-6-23)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,2,11-17H2,1H3,(H,29,33)