N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantylideneamino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=NNC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=NNC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N5OS/c32-23(27-28-24-20-12-17-11-18(14-20)15-21(24)13-17)16-33-26-30-29-25(19-7-3-1-4-8-19)31(26)22-9-5-2-6-10-22/h1-10,17-18,20-21H,11-16H2,(H,27,32)