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

Systemtic Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCOCC6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCOCC6

InChI

InChI=1S/C21H31N5O2S/c27-18(22-21-10-14-7-15(11-21)9-16(8-14)12-21)13-29-20-24-23-19(26(20)17-1-2-17)25-3-5-28-6-4-25/h14-17H,1-13H2,(H,22,27)