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

Systemtic Name: N-(1-adamantyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)N6CCOCC6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)N6CCOCC6

InChI

InChI=1S/C25H33N5O2S/c1-17(22(31)26-25-14-18-11-19(15-25)13-20(12-18)16-25)33-24-28-27-23(29-7-9-32-10-8-29)30(24)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3,(H,26,31)