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

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C23H27N5OS/c24-7-4-8-28(23-12-17-9-18(13-23)11-19(10-17)14-23)21(29)15-30-22-26-25-16-27(22)20-5-2-1-3-6-20/h1-3,5-6,16-19H,4,8-15H2