N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C28H35N5OS/c1-5-6-7-13-18-32-23-17-12-11-16-22(23)29-27(32)35-20-26(34)30-25-19-24(28(2,3)4)31-33(25)21-14-9-8-10-15-21/h8-12,14-17,19H,5-7,13,18,20H2,1-4H3,(H,30,34)