2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylcarbonylamino)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylcarbonylamino)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-carbonylamino)ethyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-[[2-furanyl(oxo)methyl]amino]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-carbonylamino)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(2-furoylamino)ethyl]nicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21N3O3S/c1-14-7-8-15(2)18(13-14)28-21-16(5-3-9-24-21)19(25)22-10-11-23-20(26)17-6-4-12-27-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)