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

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-furylmethylsulfanyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(2-furanylmethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(2-furfurylthio)ethyl]nicotinamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C21H22N2O2S2/c1-15-7-8-16(2)19(13-15)27-21-18(6-3-9-23-21)20(24)22-10-12-26-14-17-5-4-11-25-17/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,24)