(2R)-N-(1-adamantylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C22H27N5O2S/c1-14(30-21-26-23-13-27(21)18-5-3-2-4-6-18)19(28)24-20(29)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13-17H,7-12H2,1H3,(H2,24,25,28,29)/t14-,15?,16?,17?,22?/m1/s1