N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C26H31N5OS MolecularWeight: 461.62224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5OS/c1-4-5-6-12-17-30-23-16-11-10-15-22(23)27-26(30)33-18-24(32)28-25-19(2)29-31(20(25)3)21-13-8-7-9-14-21/h7-11,13-16H,4-6,12,17-18H2,1-3H3,(H,28,32)