4,5,6-trimethyl-2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

InChI

InChI=1S/C20H25N3O2S2/c1-12-5-7-16(8-6-12)26-10-9-22-17(24)11-27-20-18(19(21)25)14(3)13(2)15(4)23-20/h5-8H,9-11H2,1-4H3,(H2,21,25)(H,22,24)