N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H26N4OS/c26-18(12-27-20-23-19(24-25-20)17-4-2-1-3-5-17)22-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16H,6-13H2,(H,22,26)(H,23,24,25)