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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C30H31N5OS MolecularWeight: 509.66504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5OS/c1-30(2,3)26-20-27(35(33-26)23-14-8-5-9-15-23)32-28(36)21-37-29-31-24-16-10-11-17-25(24)34(29)19-18-22-12-6-4-7-13-22/h4-17,20H,18-19,21H2,1-3H3,(H,32,36)