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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-phenyl-1H-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=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C5=CC=CC=C5

InChI

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