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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylcarbonylamino)ethyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-carbonylamino)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-[[2-furanyl(oxo)methyl]amino]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-carbonylamino)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(2-furoylamino)ethyl]nicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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