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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C22H29N5OS/c1-2-27-20(18-3-5-23-6-4-18)25-26-21(27)29-13-19(28)24-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-14H2,1H3,(H,24,28)