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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C21H31N5O2S/c1-3-26-17(16-4-5-16)24-25-20(26)29-12(2)18(27)22-19(28)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h12-16H,3-11H2,1-2H3,(H2,22,23,27,28)