N-(1-adamantylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C23H31N5OS/c1-2-7-28-21(19-3-5-24-6-4-19)26-27-22(28)30-14-20(29)25-15-23-11-16-8-17(12-23)10-18(9-16)13-23/h3-6,16-18H,2,7-15H2,1H3,(H,25,29)