2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(furan-2-ylcarbonylamino)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(furan-2-ylcarbonylamino)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(2-furoylamino)benzyl]nicotinamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C26H23N3O3S/c1-17-7-12-21(15-18(17)2)33-26-22(5-3-13-27-26)24(30)28-16-19-8-10-20(11-9-19)29-25(31)23-6-4-14-32-23/h3-15H,16H2,1-2H3,(H,28,30)(H,29,31)