N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C22H31N5OS/c1-2-26-20(18-4-5-18)24-25-21(26)29-14-19(28)27(7-3-6-23)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-18H,2-5,7-14H2,1H3