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

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)N5CCOCC5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)N5CCOCC5

InChI

InChI=1S/C21H33N5O2S/c1-2-26-19(25-3-5-28-6-4-25)23-24-20(26)29-13-18(27)22-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,2-14H2,1H3,(H,22,27)