N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]acetamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c1-19-25(26(34)32(30(19)2)21-13-7-4-8-14-21)29-24(33)17-31-23-16-10-9-15-22(23)28-27(31)35-18-20-11-5-3-6-12-20/h3-16H,17-18H2,1-2H3,(H,29,33)