3-[5-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1-adamantylmethylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-adamantylmethylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1-adamantylmethylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1-adamantylmethylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C20H31N5O2S MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CCC(=O)N

InChI

InChI=1S/C20H31N5O2S/c1-2-25-17(4-3-16(21)26)23-24-19(25)28-11-18(27)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,2-12H2,1H3,(H2,21,26)(H,22,27)