3-(cyclohexylsulfanylmethyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)coumarilamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C27H29N3O2S/c1-18-25(19(2)30(29-18)20-11-5-3-6-12-20)28-27(31)26-23(17-33-21-13-7-4-8-14-21)22-15-9-10-16-24(22)32-26/h3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2,1-2H3,(H,28,31)