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

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N5OS/c1-14(2)24-13-22-23-19(24)27-12-18(26)25(5-3-4-21)20-9-15-6-16(10-20)8-17(7-15)11-20/h13-17H,3,5-12H2,1-2H3