N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H29N5O2S/c27-17(11-29-20-25-24-18(15-1-2-15)26(20)16-3-4-16)22-19(28)23-21-8-12-5-13(9-21)7-14(6-12)10-21/h12-16H,1-11H2,(H2,22,23,27,28)