N-(1-adamantylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C23H28N6O2S/c1-2-7-29-20(18-3-5-24-6-4-18)27-28-22(29)32-14-19(30)25-21(31)26-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-6,15-17H,1,7-14H2,(H2,25,26,30,31)