N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzofuran-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)coumarilamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3S/c1-19-25(28(33)31(30(19)2)21-13-7-4-8-14-21)29-27(32)26-23(22-15-9-10-16-24(22)34-26)18-35-17-20-11-5-3-6-12-20/h3-16H,17-18H2,1-2H3,(H,29,32)