N-tert-butyl-N-(phenylmethyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanamide

Systemtic Name: N-tert-butyl-N-(phenylmethyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide CAS Name: N-tert-butyl-N-(phenylmethyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide Traditional Name: N-benzyl-N-tert-butyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC3=NC4=CC=CC=C4N32

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC3=NC4=CC=CC=C4N32

InChI

InChI=1S/C21H23N5OS/c1-21(2,3)25(13-15-9-5-4-6-10-15)18(27)14-28-20-24-23-19-22-16-11-7-8-12-17(16)26(19)20/h4-12H,13-14H2,1-3H3,(H,22,23)