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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-furylmethylamino)-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(2-furfurylamino)-2-keto-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)NCC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(=O)NCC3=CC=CO3)C

InChI

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